2-chloro-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline

C13H10ClN5 — CID 82569473

IUPAC2-chloro-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline
SMILESNc1cc(-c2n[nH]c(-c3ccccn3)n2)ccc1Cl
InChIInChI=1S/C13H10ClN5/c14-9-5-4-8(7-10(9)15)12-17-13(19-18-12)11-3-1-2-6-16-11/h1-7H,15H2,(H,17,18,19)
InChIKeyVUWMXBYCPCXKGR-UHFFFAOYSA-N
MW271.71 g/mol
LogP2.77
Rot. Bonds2

About 2-chloro-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline

2-chloro-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline (PubChem CID 82569473) has the molecular formula C13H10ClN5 and a molecular weight of 271.71 g/mol. Its IUPAC name is 2-chloro-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name2-chloro-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline
PubChem CID82569473
Molecular FormulaC13H10ClN5
Molecular Weight271.71 g/mol
Exact Mass271.06
IUPAC Name2-chloro-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline
SMILESNc1cc(-c2n[nH]c(-c3ccccn3)n2)ccc1Cl
InChIInChI=1S/C13H10ClN5/c14-9-5-4-8(7-10(9)15)12-17-13(19-18-12)11-3-1-2-6-16-11/h1-7H,15H2,(H,17,18,19)
InChIKeyVUWMXBYCPCXKGR-UHFFFAOYSA-N
XLogP2.77
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 2-chloro-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline (CID 82569473) is 2-chloro-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 2-chloro-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 2-chloro-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline is Nc1cc(-c2n[nH]c(-c3ccccn3)n2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline?
The InChIKey is VUWMXBYCPCXKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5/c14-9-5-4-8(7-10(9)15)12-17-13(19-18-12)11-3-1-2-6-16-11/h1-7H,15H2,(H,17,18,19).
What are the key properties of 2-chloro-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline?
2-chloro-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline has a molecular weight of 271.71 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 82569473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).