N-[(3-methylcyclohexyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C13H19N5 — CID 103710803

IUPACN-[(3-methylcyclohexyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC1CCCC(CNc2nccn3cnnc23)C1
InChIInChI=1S/C13H19N5/c1-10-3-2-4-11(7-10)8-15-12-13-17-16-9-18(13)6-5-14-12/h5-6,9-11H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyNQTCVVWBQRPLDI-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.36
Rot. Bonds3

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

N-[(3-methylcyclohexyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 103710803) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID103710803
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[(3-methylcyclohexyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC1CCCC(CNc2nccn3cnnc23)C1
InChIInChI=1S/C13H19N5/c1-10-3-2-4-11(7-10)8-15-12-13-17-16-9-18(13)6-5-14-12/h5-6,9-11H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyNQTCVVWBQRPLDI-UHFFFAOYSA-N
XLogP2.36
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-[(3-methylcyclohexyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 103710803) is N-[(3-methylcyclohexyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-[(3-methylcyclohexyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-[(3-methylcyclohexyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CC1CCCC(CNc2nccn3cnnc23)C1.
What is the InChIKey of N-[(3-methylcyclohexyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is NQTCVVWBQRPLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10-3-2-4-11(7-10)8-15-12-13-17-16-9-18(13)6-5-14-12/h5-6,9-11H,2-4,7-8H2,1H3,(H,14,15).
What are the key properties of N-[(3-methylcyclohexyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-[(3-methylcyclohexyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 245.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 103710803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).