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

C17H21N7 — CID 138596741

IUPAC6-(4,4-dimethylcyclohexen-1-yl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCn1cc(Nc2nc(C3=CCC(C)(C)CC3)cn3ncnc23)cn1
InChIInChI=1S/C17H21N7/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/h4,8-11H,5-7H2,1-3H3,(H,21,22)
InChIKeyZJJNGMFYPPXJEU-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.19
Rot. Bonds3

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

6-(4,4-dimethylcyclohexen-1-yl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 138596741) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-(4,4-dimethylcyclohexen-1-yl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(4,4-dimethylcyclohexen-1-yl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID138596741
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name6-(4,4-dimethylcyclohexen-1-yl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCn1cc(Nc2nc(C3=CCC(C)(C)CC3)cn3ncnc23)cn1
InChIInChI=1S/C17H21N7/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/h4,8-11H,5-7H2,1-3H3,(H,21,22)
InChIKeyZJJNGMFYPPXJEU-UHFFFAOYSA-N
XLogP3.19
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4,4-dimethylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 118467060
6-(4-methylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 118467059
tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate
CID 118456699
1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43543834
1-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol
CID 118466937
5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 105369180
N-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]-1-methylpyrazol-4-amine
CID 91646723
2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 79779087
N-(1-methylpyrazol-4-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-4-amine
CID 167890112
6-cyclohexyl-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;hydrochloride
CID 138596711
2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 130532664
2-chloro-N-(1-methylpyrazol-4-yl)-9-propan-2-ylpurin-6-amine
CID 118073689

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylcyclohexen-1-yl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of 6-(4,4-dimethylcyclohexen-1-yl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 138596741) is 6-(4,4-dimethylcyclohexen-1-yl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 6-(4,4-dimethylcyclohexen-1-yl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 6-(4,4-dimethylcyclohexen-1-yl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is Cn1cc(Nc2nc(C3=CCC(C)(C)CC3)cn3ncnc23)cn1.
What is the InChIKey of 6-(4,4-dimethylcyclohexen-1-yl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is ZJJNGMFYPPXJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/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/h4,8-11H,5-7H2,1-3H3,(H,21,22).
What are the key properties of 6-(4,4-dimethylcyclohexen-1-yl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
6-(4,4-dimethylcyclohexen-1-yl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 323.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylcyclohexen-1-yl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 138596741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).