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Structure

2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine

CAS
96753-77-4
Catalog Number
ACM96753774
Category
Other Products
Molecular Weight
189.170780 [g/mol]
Molecular Formula
C9H7N3O2

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Specification

Synonyms
SureCN10996257, CTK5H8919, AG-H-95988, 2,4-DIHYDRO-1-OXO-1,2,4-TRIAZOLO[3,4-C][1,4]BENZOXAZINE, 96753-77-4
IUPAC Name
2,4-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one
Canonical SMILES
C1C2=NNC(=O)N2C3=CC=CC=C3O1
InChI Key
LXJNNHYVXIBGJI-UHFFFAOYSA-N
Exact Mass
189.05400
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine?

The molecular formula of 2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine is C9H7N3O2.

When was the PubChem CID for 2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine created?

The PubChem CID for 2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine was created on 2007-02-08.

What is the InChIKey of 2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine?

The InChIKey of 2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine is LXJNNHYVXIBGJI-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does 2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine have?

2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine has 3 hydrogen bond acceptor counts.

What is the exact mass of 2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine?

The exact mass of 2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine is 189.053826475 g/mol.

How many heavy atoms are present in a molecule of 2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine?

There are 14 heavy atoms in a molecule of 2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine.

What is the topological polar surface area of 2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine?

The topological polar surface area of 2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine is 53.9 Ų.

Is 2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine considered a canonicalized compound?

Yes, 2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine is considered a canonicalized compound.

How many rotatable bonds are present in 2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine?

There are 0 rotatable bonds present in 2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine.

What is the complexity value of 2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine?

The complexity value of 2,4-Dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine is 302.

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