3-(4-methyl-1,2,4-triazol-3-yl)-N-(2,4,4-trimethylcyclopentyl)aniline

C17H24N4 — CID 106662157

IUPAC3-(4-methyl-1,2,4-triazol-3-yl)-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCC1CC(C)(C)CC1Nc1cccc(-c2nncn2C)c1
InChIInChI=1S/C17H24N4/c1-12-9-17(2,3)10-15(12)19-14-7-5-6-13(8-14)16-20-18-11-21(16)4/h5-8,11-12,15,19H,9-10H2,1-4H3
InChIKeyNFJNWBMNXBETNM-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.72
Rot. Bonds3

About 3-(4-methyl-1,2,4-triazol-3-yl)-N-(2,4,4-trimethylcyclopentyl)aniline

3-(4-methyl-1,2,4-triazol-3-yl)-N-(2,4,4-trimethylcyclopentyl)aniline (PubChem CID 106662157) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3-(4-methyl-1,2,4-triazol-3-yl)-N-(2,4,4-trimethylcyclopentyl)aniline.

Molecular Properties

Compound Name3-(4-methyl-1,2,4-triazol-3-yl)-N-(2,4,4-trimethylcyclopentyl)aniline
PubChem CID106662157
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name3-(4-methyl-1,2,4-triazol-3-yl)-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCC1CC(C)(C)CC1Nc1cccc(-c2nncn2C)c1
InChIInChI=1S/C17H24N4/c1-12-9-17(2,3)10-15(12)19-14-7-5-6-13(8-14)16-20-18-11-21(16)4/h5-8,11-12,15,19H,9-10H2,1-4H3
InChIKeyNFJNWBMNXBETNM-UHFFFAOYSA-N
XLogP3.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methyl-1,2,4-triazol-3-yl)-N-(2,4,4-trimethylcyclopentyl)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

N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43789664
N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 61326180
N-(dicyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738680
N-tert-butyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 58709894
1-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1,3-diamine
CID 79458662
N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661502
1-cyclohexyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-amine
CID 75472388
N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738672
3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile
CID 106661595
N-(1-cyclopentylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 62634097
3-(3-chlorophenyl)-4-methyl-1,2,4-triazole
CID 79002375
3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662084

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)-N-(2,4,4-trimethylcyclopentyl)aniline?
The IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)-N-(2,4,4-trimethylcyclopentyl)aniline (CID 106662157) is 3-(4-methyl-1,2,4-triazol-3-yl)-N-(2,4,4-trimethylcyclopentyl)aniline.
What is the SMILES notation for 3-(4-methyl-1,2,4-triazol-3-yl)-N-(2,4,4-trimethylcyclopentyl)aniline?
The canonical SMILES for 3-(4-methyl-1,2,4-triazol-3-yl)-N-(2,4,4-trimethylcyclopentyl)aniline is CC1CC(C)(C)CC1Nc1cccc(-c2nncn2C)c1.
What is the InChIKey of 3-(4-methyl-1,2,4-triazol-3-yl)-N-(2,4,4-trimethylcyclopentyl)aniline?
The InChIKey is NFJNWBMNXBETNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12-9-17(2,3)10-15(12)19-14-7-5-6-13(8-14)16-20-18-11-21(16)4/h5-8,11-12,15,19H,9-10H2,1-4H3.
What are the key properties of 3-(4-methyl-1,2,4-triazol-3-yl)-N-(2,4,4-trimethylcyclopentyl)aniline?
3-(4-methyl-1,2,4-triazol-3-yl)-N-(2,4,4-trimethylcyclopentyl)aniline has a molecular weight of 284.41 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,2,4-triazol-3-yl)-N-(2,4,4-trimethylcyclopentyl)aniline is sourced from PubChem (CID 106662157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).