[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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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).