5-chloro-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)aniline

C15H19ClN4 — CID 62721470

IUPAC5-chloro-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)aniline
SMILESCn1nc(C2CCCCC2)nc1-c1ccc(Cl)cc1N
InChIInChI=1S/C15H19ClN4/c1-20-15(12-8-7-11(16)9-13(12)17)18-14(19-20)10-5-3-2-4-6-10/h7-10H,2-6,17H2,1H3
InChIKeyWWCUPMREJZGFIX-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.77
Rot. Bonds2

About 5-chloro-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)aniline

5-chloro-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 62721470) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 5-chloro-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name5-chloro-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID62721470
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name5-chloro-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)aniline
SMILESCn1nc(C2CCCCC2)nc1-c1ccc(Cl)cc1N
InChIInChI=1S/C15H19ClN4/c1-20-15(12-8-7-11(16)9-13(12)17)18-14(19-20)10-5-3-2-4-6-10/h7-10H,2-6,17H2,1H3
InChIKeyWWCUPMREJZGFIX-UHFFFAOYSA-N
XLogP3.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-chloro-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)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

5-chloro-2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)aniline
CID 62722189
4-chloro-3-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)aniline
CID 62722900
2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-5-nitroaniline
CID 63110959
3-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)naphthalen-2-amine
CID 62720537
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)thiophen-3-amine
CID 62721642
5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine
CID 55111608
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-6-methylaniline
CID 62721614
5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine
CID 62794324
5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine
CID 114859800
4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine
CID 166122261
5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline
CID 60785031
3-cyclopentyl-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 71818005

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 5-chloro-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)aniline (CID 62721470) is 5-chloro-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 5-chloro-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 5-chloro-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)aniline is Cn1nc(C2CCCCC2)nc1-c1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is WWCUPMREJZGFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-20-15(12-8-7-11(16)9-13(12)17)18-14(19-20)10-5-3-2-4-6-10/h7-10H,2-6,17H2,1H3.
What are the key properties of 5-chloro-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)aniline?
5-chloro-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 290.80 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 62721470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).