N-(2,6-dimethylcyclohexyl)-3-(1,2,4-triazol-1-ylmethyl)aniline

C17H24N4 — CID 60932026

IUPACN-(2,6-dimethylcyclohexyl)-3-(1,2,4-triazol-1-ylmethyl)aniline
SMILESCC1CCCC(C)C1Nc1cccc(Cn2cncn2)c1
InChIInChI=1S/C17H24N4/c1-13-5-3-6-14(2)17(13)20-16-8-4-7-15(9-16)10-21-12-18-11-19-21/h4,7-9,11-14,17,20H,3,5-6,10H2,1-2H3
InChIKeySHIOSUNPNBEFNC-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.56
Rot. Bonds4

About N-(2,6-dimethylcyclohexyl)-3-(1,2,4-triazol-1-ylmethyl)aniline

N-(2,6-dimethylcyclohexyl)-3-(1,2,4-triazol-1-ylmethyl)aniline (PubChem CID 60932026) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-3-(1,2,4-triazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-3-(1,2,4-triazol-1-ylmethyl)aniline
PubChem CID60932026
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-(2,6-dimethylcyclohexyl)-3-(1,2,4-triazol-1-ylmethyl)aniline
SMILESCC1CCCC(C)C1Nc1cccc(Cn2cncn2)c1
InChIInChI=1S/C17H24N4/c1-13-5-3-6-14(2)17(13)20-16-8-4-7-15(9-16)10-21-12-18-11-19-21/h4,7-9,11-14,17,20H,3,5-6,10H2,1-2H3
InChIKeySHIOSUNPNBEFNC-UHFFFAOYSA-N
XLogP3.56
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,6-dimethylcyclohexyl)-3-(1,2,4-triazol-1-ylmethyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

1,5-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine
CID 81466455
N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]oxepan-4-amine
CID 65081861
N-(cyclopropylmethyl)-3-(1,2,4-triazol-1-ylmethyl)aniline
CID 54866198
N-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 64761194
N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62446621
N-(4-methylpentan-2-yl)-3-(1,2,4-triazol-1-ylmethyl)aniline
CID 54866327
1-propan-2-yl-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]urea
CID 47307477
2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60934101
2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 61034736
N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide
CID 60944276
3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 166187501
N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119852249

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-3-(1,2,4-triazol-1-ylmethyl)aniline?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-3-(1,2,4-triazol-1-ylmethyl)aniline (CID 60932026) is N-(2,6-dimethylcyclohexyl)-3-(1,2,4-triazol-1-ylmethyl)aniline.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-3-(1,2,4-triazol-1-ylmethyl)aniline?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-3-(1,2,4-triazol-1-ylmethyl)aniline is CC1CCCC(C)C1Nc1cccc(Cn2cncn2)c1.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-3-(1,2,4-triazol-1-ylmethyl)aniline?
The InChIKey is SHIOSUNPNBEFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-5-3-6-14(2)17(13)20-16-8-4-7-15(9-16)10-21-12-18-11-19-21/h4,7-9,11-14,17,20H,3,5-6,10H2,1-2H3.
What are the key properties of N-(2,6-dimethylcyclohexyl)-3-(1,2,4-triazol-1-ylmethyl)aniline?
N-(2,6-dimethylcyclohexyl)-3-(1,2,4-triazol-1-ylmethyl)aniline has a molecular weight of 284.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-3-(1,2,4-triazol-1-ylmethyl)aniline is sourced from PubChem (CID 60932026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).