N-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine

C15H14ClN5 — CID 61166360

IUPACN-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCC(Nc1cccnc1-n1cncn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN5/c1-11(12-4-6-13(16)7-5-12)20-14-3-2-8-18-15(14)21-10-17-9-19-21/h2-11,20H,1H3
InChIKeyKRHPPHWHOUCIQA-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.49
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine

N-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 61166360) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID61166360
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCC(Nc1cccnc1-n1cncn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN5/c1-11(12-4-6-13(16)7-5-12)20-14-3-2-8-18-15(14)21-10-17-9-19-21/h2-11,20H,1H3
InChIKeyKRHPPHWHOUCIQA-UHFFFAOYSA-N
XLogP3.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylheptan-4-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167513
3-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline
CID 43726250
5-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline
CID 43226937
5-chloro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine
CID 97088604
5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine
CID 97088603
8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine
CID 43731715
N-[1-(4-chlorophenyl)ethyl]-2-ethoxypyridin-3-amine
CID 43706283
N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167524
2-fluoro-6-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]benzonitrile
CID 95152949
N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167331
4-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
CID 81087312
N-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43779579

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 61166360) is N-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine is CC(Nc1cccnc1-n1cncn1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is KRHPPHWHOUCIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-11(12-4-6-13(16)7-5-12)20-14-3-2-8-18-15(14)21-10-17-9-19-21/h2-11,20H,1H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 299.77 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 61166360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).