3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C8H9N5 — CID 84655220

IUPAC3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CC3)nnc12
InChIInChI=1S/C8H9N5/c9-6-8-12-11-7(5-1-2-5)13(8)4-3-10-6/h3-5H,1-2H2,(H2,9,10)
InChIKeySMVBUHGIHOGOGE-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.58
Rot. Bonds1

About 3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 84655220) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID84655220
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CC3)nnc12
InChIInChI=1S/C8H9N5/c9-6-8-12-11-7(5-1-2-5)13(8)4-3-10-6/h3-5H,1-2H2,(H2,9,10)
InChIKeySMVBUHGIHOGOGE-UHFFFAOYSA-N
XLogP0.58
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 138684329
8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine
CID 84700451
3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 139295631
3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 139296021
[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 133478952
3-cyclopropyl-N-(1-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133477972
2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-propylamino]ethanol
CID 86815674
2-[4-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]piperidin-1-yl]acetamide
CID 133478964
2-cyclopropylimidazo[1,2-a]pyrazin-8-amine
CID 130119994
3-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133478091
(2R)-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]propan-2-ol
CID 133499653
5-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 133478990

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 84655220) is 3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Nc1nccn2c(C3CC3)nnc12.
What is the InChIKey of 3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is SMVBUHGIHOGOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c9-6-8-12-11-7(5-1-2-5)13(8)4-3-10-6/h3-5H,1-2H2,(H2,9,10).
What are the key properties of 3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 175.19 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 84655220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).