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

C16H21N7 — CID 118467059

IUPAC6-(4-methylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCC1CCC(c2cn3ncnc3c(Nc3cnn(C)c3)n2)CC1
InChIInChI=1S/C16H21N7/c1-11-3-5-12(6-4-11)14-9-23-16(17-10-19-23)15(21-14)20-13-7-18-22(2)8-13/h7-12H,3-6H2,1-2H3,(H,20,21)
InChIKeyMZOOFUROGVLEPF-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.90
Rot. Bonds3

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

6-(4-methylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 118467059) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-(4-methylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(4-methylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID118467059
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name6-(4-methylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCC1CCC(c2cn3ncnc3c(Nc3cnn(C)c3)n2)CC1
InChIInChI=1S/C16H21N7/c1-11-3-5-12(6-4-11)14-9-23-16(17-10-19-23)15(21-14)20-13-7-18-22(2)8-13/h7-12H,3-6H2,1-2H3,(H,20,21)
InChIKeyMZOOFUROGVLEPF-UHFFFAOYSA-N
XLogP2.90
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of 6-(4-methylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 118467059) is 6-(4-methylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 6-(4-methylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 6-(4-methylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is CC1CCC(c2cn3ncnc3c(Nc3cnn(C)c3)n2)CC1.
What is the InChIKey of 6-(4-methylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is MZOOFUROGVLEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-11-3-5-12(6-4-11)14-9-23-16(17-10-19-23)15(21-14)20-13-7-18-22(2)8-13/h7-12H,3-6H2,1-2H3,(H,20,21).
What are the key properties of 6-(4-methylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
6-(4-methylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 311.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 118467059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).