(R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine

C16H22N4 — CID 104899179

IUPAC(R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine
SMILESCc1nnc([C@H](N)c2ccccc2)n1C1CCCCC1
InChIInChI=1S/C16H22N4/c1-12-18-19-16(15(17)13-8-4-2-5-9-13)20(12)14-10-6-3-7-11-14/h2,4-5,8-9,14-15H,3,6-7,10-11,17H2,1H3/t15-/m1/s1
InChIKeyMRBWJUKRZSWTIQ-OAHLLOKOSA-N
MW270.38 g/mol
LogP3.14
Rot. Bonds3

About (R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine

(R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine (PubChem CID 104899179) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is (R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine.

Molecular Properties

Compound Name(R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine
PubChem CID104899179
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name(R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine
SMILESCc1nnc([C@H](N)c2ccccc2)n1C1CCCCC1
InChIInChI=1S/C16H22N4/c1-12-18-19-16(15(17)13-8-4-2-5-9-13)20(12)14-10-6-3-7-11-14/h2,4-5,8-9,14-15H,3,6-7,10-11,17H2,1H3/t15-/m1/s1
InChIKeyMRBWJUKRZSWTIQ-OAHLLOKOSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine?
The IUPAC name of (R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine (CID 104899179) is (R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine.
What is the SMILES notation for (R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine?
The canonical SMILES for (R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine is Cc1nnc([C@H](N)c2ccccc2)n1C1CCCCC1.
What is the InChIKey of (R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine?
The InChIKey is MRBWJUKRZSWTIQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-18-19-16(15(17)13-8-4-2-5-9-13)20(12)14-10-6-3-7-11-14/h2,4-5,8-9,14-15H,3,6-7,10-11,17H2,1H3/t15-/m1/s1.
What are the key properties of (R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine?
(R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine is sourced from PubChem (CID 104899179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).