3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C12H17N5 — CID 139295631

IUPAC3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESNc1nccn2c(CC3CCCCC3)nnc12
InChIInChI=1S/C12H17N5/c13-11-12-16-15-10(17(12)7-6-14-11)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H2,13,14)
InChIKeyBUIYFONHJHIMHX-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.83
Rot. Bonds2

About 3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 139295631) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID139295631
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESNc1nccn2c(CC3CCCCC3)nnc12
InChIInChI=1S/C12H17N5/c13-11-12-16-15-10(17(12)7-6-14-11)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H2,13,14)
InChIKeyBUIYFONHJHIMHX-UHFFFAOYSA-N
XLogP1.83
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 84655220
N-cyclohexyl-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 171326387
3-[(2,6-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 10038271
3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 10037412
3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 138684329
3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 139296021
8-chloro-3-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridine
CID 66785913
3-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146384
[3-[(1-ethylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145787
4-(cycloheptylmethyl)pyridin-2-amine
CID 82923791
3-(cyclopropylmethyl)-8-methyl-7-[(1-phenylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine
CID 122488721
8-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146756

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 139295631) is 3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Nc1nccn2c(CC3CCCCC3)nnc12.
What is the InChIKey of 3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is BUIYFONHJHIMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c13-11-12-16-15-10(17(12)7-6-14-11)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H2,13,14).
What are the key properties of 3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 231.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 139295631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).