N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine

C16H22N4 — CID 94073947

IUPACN-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine
SMILESCn1nc(CNC2CCCCC2)c(-c2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-20-18-15(12-17-14-10-6-3-7-11-14)16(19-20)13-8-4-2-5-9-13/h2,4-5,8-9,14,17H,3,6-7,10-12H2,1H3
InChIKeySDKPLQZCCATVPB-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.90
Rot. Bonds4

About N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine

N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine (PubChem CID 94073947) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine
PubChem CID94073947
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine
SMILESCn1nc(CNC2CCCCC2)c(-c2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-20-18-15(12-17-14-10-6-3-7-11-14)16(19-20)13-8-4-2-5-9-13/h2,4-5,8-9,14,17H,3,6-7,10-12H2,1H3
InChIKeySDKPLQZCCATVPB-UHFFFAOYSA-N
XLogP2.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine (CID 94073947) is N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine is Cn1nc(CNC2CCCCC2)c(-c2ccccc2)n1.
What is the InChIKey of N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine?
The InChIKey is SDKPLQZCCATVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-20-18-15(12-17-14-10-6-3-7-11-14)16(19-20)13-8-4-2-5-9-13/h2,4-5,8-9,14,17H,3,6-7,10-12H2,1H3.
What are the key properties of N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine?
N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine has a molecular weight of 270.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine is sourced from PubChem (CID 94073947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).