N-(4-methylcyclohexyl)-4-(1,2,4-triazol-1-yl)aniline

C15H20N4 — CID 54862721

IUPACN-(4-methylcyclohexyl)-4-(1,2,4-triazol-1-yl)aniline
SMILESCC1CCC(Nc2ccc(-n3cncn3)cc2)CC1
InChIInChI=1S/C15H20N4/c1-12-2-4-13(5-3-12)18-14-6-8-15(9-7-14)19-11-16-10-17-19/h6-13,18H,2-5H2,1H3
InChIKeyJURVCSPZCMOPJT-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.26
Rot. Bonds3

About N-(4-methylcyclohexyl)-4-(1,2,4-triazol-1-yl)aniline

N-(4-methylcyclohexyl)-4-(1,2,4-triazol-1-yl)aniline (PubChem CID 54862721) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-4-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-4-(1,2,4-triazol-1-yl)aniline
PubChem CID54862721
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-(4-methylcyclohexyl)-4-(1,2,4-triazol-1-yl)aniline
SMILESCC1CCC(Nc2ccc(-n3cncn3)cc2)CC1
InChIInChI=1S/C15H20N4/c1-12-2-4-13(5-3-12)18-14-6-8-15(9-7-14)19-11-16-10-17-19/h6-13,18H,2-5H2,1H3
InChIKeyJURVCSPZCMOPJT-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[4-(1,2,4-triazol-1-yl)phenyl]cyclohexane-1,4-diamine
CID 79730964
N-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline
CID 54862655
N-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine
CID 60927914
N-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine
CID 54906609
4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine
CID 65083101
N-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 65080282
1-ethyl-3-(4-methylcyclohexyl)-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111256398
N-(4-propan-2-ylcyclohexyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 62708772
4-[(4-methylcyclohexyl)amino]benzaldehyde
CID 145346630
1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]pyrrolidin-2-one
CID 75377340
3-fluoro-N-(3-methylcyclobutyl)-4-(1,2,4-triazol-1-yl)aniline
CID 104860232
N-pentan-3-yl-4-(1,2,4-triazol-1-yl)aniline
CID 54862710

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-4-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-(4-methylcyclohexyl)-4-(1,2,4-triazol-1-yl)aniline (CID 54862721) is N-(4-methylcyclohexyl)-4-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-(4-methylcyclohexyl)-4-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-(4-methylcyclohexyl)-4-(1,2,4-triazol-1-yl)aniline is CC1CCC(Nc2ccc(-n3cncn3)cc2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-4-(1,2,4-triazol-1-yl)aniline?
The InChIKey is JURVCSPZCMOPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-2-4-13(5-3-12)18-14-6-8-15(9-7-14)19-11-16-10-17-19/h6-13,18H,2-5H2,1H3.
What are the key properties of N-(4-methylcyclohexyl)-4-(1,2,4-triazol-1-yl)aniline?
N-(4-methylcyclohexyl)-4-(1,2,4-triazol-1-yl)aniline has a molecular weight of 256.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-4-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 54862721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).