5-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline

C16H15ClN4 — CID 43226937

IUPAC5-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline
SMILESCC(Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1
InChIInChI=1S/C16H15ClN4/c1-12(13-5-3-2-4-6-13)20-15-9-14(17)7-8-16(15)21-11-18-10-19-21/h2-12,20H,1H3
InChIKeyBQFDTNSWTYLOBW-UHFFFAOYSA-N
MW298.78 g/mol
LogP4.09
Rot. Bonds4

About 5-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline

5-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline (PubChem CID 43226937) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 5-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound Name5-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline
PubChem CID43226937
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name5-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline
SMILESCC(Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1
InChIInChI=1S/C16H15ClN4/c1-12(13-5-3-2-4-6-13)20-15-9-14(17)7-8-16(15)21-11-18-10-19-21/h2-12,20H,1H3
InChIKeyBQFDTNSWTYLOBW-UHFFFAOYSA-N
XLogP4.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-methylbutan-2-ol
CID 65337859
3-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline
CID 43726250
N-benzyl-5-chloro-2-(1,2,4-triazol-1-yl)aniline
CID 43231355
5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline
CID 43228690
N-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61166360
1-(4-chloro-2-propan-2-ylphenyl)-1,2,4-triazole
CID 21023614
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7964673
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide
CID 16549214
2,4-dichloro-N-(1-phenylethyl)aniline
CID 43082155
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537022
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]azanium
CID 9306640
5-chloro-N-[(3-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43231643

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of 5-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline (CID 43226937) is 5-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for 5-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for 5-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline is CC(Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1.
What is the InChIKey of 5-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline?
The InChIKey is BQFDTNSWTYLOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-12(13-5-3-2-4-6-13)20-15-9-14(17)7-8-16(15)21-11-18-10-19-21/h2-12,20H,1H3.
What are the key properties of 5-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline?
5-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline has a molecular weight of 298.78 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 43226937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).