3-chloro-4-(4-pyridin-2-yltriazol-1-yl)aniline

C13H10ClN5 — CID 82369903

IUPAC3-chloro-4-(4-pyridin-2-yltriazol-1-yl)aniline
SMILESNc1ccc(-n2cc(-c3ccccn3)nn2)c(Cl)c1
InChIInChI=1S/C13H10ClN5/c14-10-7-9(15)4-5-13(10)19-8-12(17-18-19)11-3-1-2-6-16-11/h1-8H,15H2
InChIKeyAUXUWHCWLWEZIH-UHFFFAOYSA-N
MW271.71 g/mol
LogP2.56
Rot. Bonds2

About 3-chloro-4-(4-pyridin-2-yltriazol-1-yl)aniline

3-chloro-4-(4-pyridin-2-yltriazol-1-yl)aniline (PubChem CID 82369903) has the molecular formula C13H10ClN5 and a molecular weight of 271.71 g/mol. Its IUPAC name is 3-chloro-4-(4-pyridin-2-yltriazol-1-yl)aniline.

Molecular Properties

Compound Name3-chloro-4-(4-pyridin-2-yltriazol-1-yl)aniline
PubChem CID82369903
Molecular FormulaC13H10ClN5
Molecular Weight271.71 g/mol
Exact Mass271.06
IUPAC Name3-chloro-4-(4-pyridin-2-yltriazol-1-yl)aniline
SMILESNc1ccc(-n2cc(-c3ccccn3)nn2)c(Cl)c1
InChIInChI=1S/C13H10ClN5/c14-10-7-9(15)4-5-13(10)19-8-12(17-18-19)11-3-1-2-6-16-11/h1-8H,15H2
InChIKeyAUXUWHCWLWEZIH-UHFFFAOYSA-N
XLogP2.56
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-(4-phenyltriazol-1-yl)aniline
CID 82369853
2-[1-(1H-pyrazol-5-yl)triazol-4-yl]pyridine
CID 118591414
2-pyridin-2-ylpyridin-4-amine
CID 1236680
2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine
CID 71812350
[4-[2,6-difluorooxy-4-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl] hypofluorite
CID 175061772
7-amino-3-[4-[4-[bis(pyridin-2-ylmethyl)amino]phenyl]triazol-1-yl]chromen-2-one
CID 122225566
4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 162662895
2-chloro-1-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 82059224
3-chloro-4-(2-pyridin-2-ylethenyl)aniline
CID 11837545
2-[1-(trifluoromethyl)triazol-4-yl]pyridine
CID 67428287
2-(2,4,6-trichlorophenyl)pyridine
CID 71658630
4-[4-[1-(10-bromoanthracen-9-yl)triazol-4-yl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102507811

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-pyridin-2-yltriazol-1-yl)aniline?
The IUPAC name of 3-chloro-4-(4-pyridin-2-yltriazol-1-yl)aniline (CID 82369903) is 3-chloro-4-(4-pyridin-2-yltriazol-1-yl)aniline.
What is the SMILES notation for 3-chloro-4-(4-pyridin-2-yltriazol-1-yl)aniline?
The canonical SMILES for 3-chloro-4-(4-pyridin-2-yltriazol-1-yl)aniline is Nc1ccc(-n2cc(-c3ccccn3)nn2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(4-pyridin-2-yltriazol-1-yl)aniline?
The InChIKey is AUXUWHCWLWEZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5/c14-10-7-9(15)4-5-13(10)19-8-12(17-18-19)11-3-1-2-6-16-11/h1-8H,15H2.
What are the key properties of 3-chloro-4-(4-pyridin-2-yltriazol-1-yl)aniline?
3-chloro-4-(4-pyridin-2-yltriazol-1-yl)aniline has a molecular weight of 271.71 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-pyridin-2-yltriazol-1-yl)aniline is sourced from PubChem (CID 82369903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).