3-fluoro-N-(2-methoxycyclohexyl)-4-(1,2,4-triazol-1-yl)aniline

C15H19FN4O — CID 60932978

IUPAC3-fluoro-N-(2-methoxycyclohexyl)-4-(1,2,4-triazol-1-yl)aniline
SMILESCOC1CCCCC1Nc1ccc(-n2cncn2)c(F)c1
InChIInChI=1S/C15H19FN4O/c1-21-15-5-3-2-4-13(15)19-11-6-7-14(12(16)8-11)20-10-17-9-18-20/h6-10,13,15,19H,2-5H2,1H3
InChIKeyNZTLNGULDKHRSD-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.78
Rot. Bonds4

About 3-fluoro-N-(2-methoxycyclohexyl)-4-(1,2,4-triazol-1-yl)aniline

3-fluoro-N-(2-methoxycyclohexyl)-4-(1,2,4-triazol-1-yl)aniline (PubChem CID 60932978) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-fluoro-N-(2-methoxycyclohexyl)-4-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound Name3-fluoro-N-(2-methoxycyclohexyl)-4-(1,2,4-triazol-1-yl)aniline
PubChem CID60932978
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name3-fluoro-N-(2-methoxycyclohexyl)-4-(1,2,4-triazol-1-yl)aniline
SMILESCOC1CCCCC1Nc1ccc(-n2cncn2)c(F)c1
InChIInChI=1S/C15H19FN4O/c1-21-15-5-3-2-4-13(15)19-11-6-7-14(12(16)8-11)20-10-17-9-18-20/h6-10,13,15,19H,2-5H2,1H3
InChIKeyNZTLNGULDKHRSD-UHFFFAOYSA-N
XLogP2.78
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-(2-methoxycyclohexyl)-4-(1,2,4-triazol-1-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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methoxycyclohexyl)-4-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of 3-fluoro-N-(2-methoxycyclohexyl)-4-(1,2,4-triazol-1-yl)aniline (CID 60932978) is 3-fluoro-N-(2-methoxycyclohexyl)-4-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for 3-fluoro-N-(2-methoxycyclohexyl)-4-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for 3-fluoro-N-(2-methoxycyclohexyl)-4-(1,2,4-triazol-1-yl)aniline is COC1CCCCC1Nc1ccc(-n2cncn2)c(F)c1.
What is the InChIKey of 3-fluoro-N-(2-methoxycyclohexyl)-4-(1,2,4-triazol-1-yl)aniline?
The InChIKey is NZTLNGULDKHRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-21-15-5-3-2-4-13(15)19-11-6-7-14(12(16)8-11)20-10-17-9-18-20/h6-10,13,15,19H,2-5H2,1H3.
What are the key properties of 3-fluoro-N-(2-methoxycyclohexyl)-4-(1,2,4-triazol-1-yl)aniline?
3-fluoro-N-(2-methoxycyclohexyl)-4-(1,2,4-triazol-1-yl)aniline has a molecular weight of 290.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methoxycyclohexyl)-4-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 60932978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).