4-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline

C15H20N4 — CID 104699010

IUPAC4-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline
SMILESCNc1ccc(-c2nncn2C2CCCCC2)cc1
InChIInChI=1S/C15H20N4/c1-16-13-9-7-12(8-10-13)15-18-17-11-19(15)14-5-3-2-4-6-14/h7-11,14,16H,2-6H2,1H3
InChIKeyNXBIAHYGLBFVJT-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.49
Rot. Bonds3

About 4-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline

4-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline (PubChem CID 104699010) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline
PubChem CID104699010
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline
SMILESCNc1ccc(-c2nncn2C2CCCCC2)cc1
InChIInChI=1S/C15H20N4/c1-16-13-9-7-12(8-10-13)15-18-17-11-19(15)14-5-3-2-4-6-14/h7-11,14,16H,2-6H2,1H3
InChIKeyNXBIAHYGLBFVJT-UHFFFAOYSA-N
XLogP3.49
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline
CID 62710243
2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol
CID 62696230
4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole
CID 115394164
5-(4-cyclohexyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
CID 62710580
4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline
CID 63090376
4-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-nitroaniline
CID 62711941
4-cyclohexyl-1,2,4-triazol-3-amine
CID 62710575
4-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxyaniline
CID 107209647
2-(4-cyclopentyl-1,2,4-triazol-3-yl)-3,6-dimethylbenzoic acid
CID 103431010
2-(4-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoroaniline
CID 62709909
1-cyclopropylsulfonyl-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine
CID 91904971
[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-pyridinyl]methanamine
CID 81096122

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline?
The IUPAC name of 4-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline (CID 104699010) is 4-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline.
What is the SMILES notation for 4-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline?
The canonical SMILES for 4-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline is CNc1ccc(-c2nncn2C2CCCCC2)cc1.
What is the InChIKey of 4-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline?
The InChIKey is NXBIAHYGLBFVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-16-13-9-7-12(8-10-13)15-18-17-11-19(15)14-5-3-2-4-6-14/h7-11,14,16H,2-6H2,1H3.
What are the key properties of 4-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline?
4-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline has a molecular weight of 256.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline is sourced from PubChem (CID 104699010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).