CAS
959239-41-9 Purity
96%
959239-41-9 Purity
96%
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Cyclopropyl(1-methyl-1H-1,2,4-triazol-5-yl)methanone
CAS
959239-56-6
Catalog Number
ACM959239566
Category
Other Products
Molecular Weight
151.165860 [g/mol]
Molecular Formula
C7H9N3O
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Specification
Synonyms
Ambcb4026617, CTK5H8385, MolPort-016-631-123, ZINC19091730, AKOS006282343, AG-H-94419, CYCLOPROPYL(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)METHANONE, 959239-56-6
IUPAC Name
cyclopropyl-(2-methyl-1,2,4-triazol-3-yl)methanone
Canonical SMILES
CN1C(=NC=N1)C(=O)C2CC2
InChI Key
LRDUGCRNSYHVGW-UHFFFAOYSA-N
Boiling Point
316.2ºC at 760 mmHg
Flash Point
145ºC
Density
1.44g/cm³
Exact Mass
151.07500
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Cyclopropyl(1-methyl-1H-1,2,4-triazol-5-yl)methanone?
The molecular formula is C7H9N3O.
What is the molecular weight of Cyclopropyl(1-methyl-1H-1,2,4-triazol-5-yl)methanone?
The molecular weight is 151.17 g/mol.
When was Cyclopropyl(1-methyl-1H-1,2,4-triazol-5-yl)methanone created in PubChem?
It was created on May 28, 2009.
What is the IUPAC name of Cyclopropyl(1-methyl-1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name is cyclopropyl-(2-methyl-1,2,4-triazol-3-yl)methanone.
What is the InChI of Cyclopropyl(1-methyl-1H-1,2,4-triazol-5-yl)methanone?
The InChI is InChI=1S/C7H9N3O/c1-10-7(8-4-9-10)6(11)5-2-3-5/h4-5H,2-3H2,1H3.
What is the InChIKey of Cyclopropyl(1-methyl-1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is LRDUGCRNSYHVGW-UHFFFAOYSA-N.
How many hydrogen bond acceptors does Cyclopropyl(1-methyl-1H-1,2,4-triazol-5-yl)methanone have?
It has 3 hydrogen bond acceptors.
What is the topological polar surface area of Cyclopropyl(1-methyl-1H-1,2,4-triazol-5-yl)methanone?
The topological polar surface area is 47.8 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many rotatable bond counts does Cyclopropyl(1-methyl-1H-1,2,4-triazol-5-yl)methanone have?
It has 2 rotatable bond counts.
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