[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]methanamine

C16H22N4 — CID 61362180

IUPAC[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]methanamine
SMILESCc1nnc(-c2ccc(CN)cc2)n1C1CCCCC1
InChIInChI=1S/C16H22N4/c1-12-18-19-16(14-9-7-13(11-17)8-10-14)20(12)15-5-3-2-4-6-15/h7-10,15H,2-6,11,17H2,1H3
InChIKeyQQXDXPGIDAUOSI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.22
Rot. Bonds3

About [4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]methanamine

[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]methanamine (PubChem CID 61362180) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is [4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]methanamine
PubChem CID61362180
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]methanamine
SMILESCc1nnc(-c2ccc(CN)cc2)n1C1CCCCC1
InChIInChI=1S/C16H22N4/c1-12-18-19-16(14-9-7-13(11-17)8-10-14)20(12)15-5-3-2-4-6-15/h7-10,15H,2-6,11,17H2,1H3
InChIKeyQQXDXPGIDAUOSI-UHFFFAOYSA-N
XLogP3.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine
CID 61363149
4-cyclohexyl-3-[[4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]methylsulfanyl]-5-methyl-1,2,4-triazole
CID 16516707
2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-fluoroaniline
CID 61361775
2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-4-methylaniline
CID 61362386
5-bromo-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)aniline
CID 61361577
[5-(4-tert-butylphenyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
CID 115944033
4-cyclobutyl-3,5-diphenyl-1,2,4-triazole
CID 10612456
4-cyclohexyl-3-[(3,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazole
CID 21373738
4-cyclohexyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
CID 78762729
[4-cyclopropyl-5-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 112593096
2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-3-amine
CID 114916514
4-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine
CID 862853

Frequently Asked Questions

What is the IUPAC name of [4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]methanamine?
The IUPAC name of [4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]methanamine (CID 61362180) is [4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]methanamine.
What is the SMILES notation for [4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]methanamine?
The canonical SMILES for [4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]methanamine is Cc1nnc(-c2ccc(CN)cc2)n1C1CCCCC1.
What is the InChIKey of [4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]methanamine?
The InChIKey is QQXDXPGIDAUOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-18-19-16(14-9-7-13(11-17)8-10-14)20(12)15-5-3-2-4-6-15/h7-10,15H,2-6,11,17H2,1H3.
What are the key properties of [4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]methanamine?
[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]methanamine is sourced from PubChem (CID 61362180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).