6-(4,4-dimethylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C17H23N7 — CID 118467060

IUPAC6-(4,4-dimethylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCn1cc(Nc2nc(C3CCC(C)(C)CC3)cn3ncnc23)cn1
InChIInChI=1S/C17H23N7/c1-17(2)6-4-12(5-7-17)14-10-24-16(18-11-20-24)15(22-14)21-13-8-19-23(3)9-13/h8-12H,4-7H2,1-3H3,(H,21,22)
InChIKeyPZOGEYIJXYRKDY-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.29
Rot. Bonds3

About 6-(4,4-dimethylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

6-(4,4-dimethylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 118467060) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 6-(4,4-dimethylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(4,4-dimethylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID118467060
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name6-(4,4-dimethylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCn1cc(Nc2nc(C3CCC(C)(C)CC3)cn3ncnc23)cn1
InChIInChI=1S/C17H23N7/c1-17(2)6-4-12(5-7-17)14-10-24-16(18-11-20-24)15(22-14)21-13-8-19-23(3)9-13/h8-12H,4-7H2,1-3H3,(H,21,22)
InChIKeyPZOGEYIJXYRKDY-UHFFFAOYSA-N
XLogP3.29
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of 6-(4,4-dimethylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 118467060) is 6-(4,4-dimethylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 6-(4,4-dimethylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 6-(4,4-dimethylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is Cn1cc(Nc2nc(C3CCC(C)(C)CC3)cn3ncnc23)cn1.
What is the InChIKey of 6-(4,4-dimethylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is PZOGEYIJXYRKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-17(2)6-4-12(5-7-17)14-10-24-16(18-11-20-24)15(22-14)21-13-8-19-23(3)9-13/h8-12H,4-7H2,1-3H3,(H,21,22).
What are the key properties of 6-(4,4-dimethylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
6-(4,4-dimethylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 325.42 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 118467060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).