N-(3,5-dimethylcyclohexyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline

C17H24N4 — CID 64751549

IUPACN-(3,5-dimethylcyclohexyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
SMILESCc1nc(-c2ccccc2NC2CC(C)CC(C)C2)n[nH]1
InChIInChI=1S/C17H24N4/c1-11-8-12(2)10-14(9-11)19-16-7-5-4-6-15(16)17-18-13(3)20-21-17/h4-7,11-12,14,19H,8-10H2,1-3H3,(H,18,20,21)
InChIKeyUTBJKFMIQVPTBX-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.02
Rot. Bonds3

About N-(3,5-dimethylcyclohexyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline

N-(3,5-dimethylcyclohexyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline (PubChem CID 64751549) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
PubChem CID64751549
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-(3,5-dimethylcyclohexyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
SMILESCc1nc(-c2ccccc2NC2CC(C)CC(C)C2)n[nH]1
InChIInChI=1S/C17H24N4/c1-11-8-12(2)10-14(9-11)19-16-7-5-4-6-15(16)17-18-13(3)20-21-17/h4-7,11-12,14,19H,8-10H2,1-3H3,(H,18,20,21)
InChIKeyUTBJKFMIQVPTBX-UHFFFAOYSA-N
XLogP4.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cycloheptan-1-amine
CID 65080101
2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thian-3-amine
CID 79957735
N-(3,5-dimethylcyclohexyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 64752123
2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylaniline
CID 43694606
N-benzyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 43694567
2-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropanoic acid
CID 114897949
3-(2-iodophenyl)-5-methyl-1H-1,2,4-triazole
CID 43166774
5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-5-oxopentanoic acid
CID 60942165
2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 43698496
2-chloro-3-methyl-N-(3-methylcyclobutyl)aniline
CID 126975405
2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 47423979
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 43694598

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline (CID 64751549) is N-(3,5-dimethylcyclohexyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline is Cc1nc(-c2ccccc2NC2CC(C)CC(C)C2)n[nH]1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
The InChIKey is UTBJKFMIQVPTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-11-8-12(2)10-14(9-11)19-16-7-5-4-6-15(16)17-18-13(3)20-21-17/h4-7,11-12,14,19H,8-10H2,1-3H3,(H,18,20,21).
What are the key properties of N-(3,5-dimethylcyclohexyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
N-(3,5-dimethylcyclohexyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline has a molecular weight of 284.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 64751549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).