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Structure

3-Cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

CAS
945262-32-8
Catalog Number
ACM945262328
Category
Other Products
Molecular Weight
164.211
Molecular Formula
C8H12N4

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Specification

Synonyms
945262-32-8, 3-Cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine, AG-H-90298, 3-cyclopropyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine, CTK5H6773, MolPort-009-198-726, ANW-74749, AKOS011878128, MCULE-4588798105, PB26474, RP09193, AK-32083, AB1011748, FT-0684727, EN300-71684, C-8657, A844994, I14-11343, 1,2,4-TRIAZOLO[4,3-A]PYRAZINE, 3-CYCLOPROPYL-5,6,7,8-TETRAHYDRO-
IUPAC Name
3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
Canonical SMILES
C1CC1C2=NN=C3N2CCNC3
InChI Key
XVXXWVBIKKLTRG-UHFFFAOYSA-N
Boiling Point
382.2ºC at 760 mmHg
Flash Point
184.9ºC
Density
1.63g/cm³
Exact Mass
164.10600
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 3-Cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?

The molecular formula is C8H12N4.

When was 3-Cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine created and modified in PubChem?

It was created on May 29, 2009, and last modified on December 30, 2023.

What is the IUPAC name of 3-Cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?

The IUPAC name is 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

What is the InChIKey of 3-Cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?

The InChIKey is XVXXWVBIKKLTRG-UHFFFAOYSA-N.

What is the Canonical SMILES representation of 3-Cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?

The Canonical SMILES is C1CC1C2=NN=C3N2CCNC3.

What is the molecular weight of 3-Cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?

The molecular weight is 164.21 g/mol.

How many hydrogen bond donor counts does 3-Cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of 3-Cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?

The topological polar surface area is 42.7 Ų.

Is 3-Cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine a canonicalized compound?

Yes, it is a canonicalized compound.

How many rotatable bond counts does 3-Cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine have?

It has 1 rotatable bond count.

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