[1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine

C13H22N4 — CID 115443141

IUPAC[1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nncn2C2CC2)CC1
InChIInChI=1S/C13H22N4/c1-10-4-6-13(8-14,7-5-10)12-16-15-9-17(12)11-2-3-11/h9-11H,2-8,14H2,1H3
InChIKeyGMIAVXQAVOQYRY-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.02
Rot. Bonds3

About [1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine

[1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine (PubChem CID 115443141) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is [1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine
PubChem CID115443141
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name[1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nncn2C2CC2)CC1
InChIInChI=1S/C13H22N4/c1-10-4-6-13(8-14,7-5-10)12-16-15-9-17(12)11-2-3-11/h9-11H,2-8,14H2,1H3
InChIKeyGMIAVXQAVOQYRY-UHFFFAOYSA-N
XLogP2.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine
CID 115443144
[1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine
CID 115451900
[1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine
CID 115444888
[4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine
CID 115443142
[4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine
CID 113310564
[4-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexyl]methanamine
CID 115443135
[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-methylcyclohexyl]methanamine
CID 115442690
[1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 82597229
4-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 62693680
[1-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-4-methylcyclohexyl]methanamine
CID 115441246
[1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 115447062
[4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115441203

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine (CID 115443141) is [1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine is CC1CCC(CN)(c2nncn2C2CC2)CC1.
What is the InChIKey of [1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine?
The InChIKey is GMIAVXQAVOQYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-4-6-13(8-14,7-5-10)12-16-15-9-17(12)11-2-3-11/h9-11H,2-8,14H2,1H3.
What are the key properties of [1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine?
[1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 115443141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).