2-chloro-N-pyridin-2-yl-5-(1,2,4-triazol-4-yl)benzamide

C14H10ClN5O — CID 1263310

IUPAC2-chloro-N-pyridin-2-yl-5-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nc1ccccn1)c1cc(-n2cnnc2)ccc1Cl
InChIInChI=1S/C14H10ClN5O/c15-12-5-4-10(20-8-17-18-9-20)7-11(12)14(21)19-13-3-1-2-6-16-13/h1-9H,(H,16,19,21)
InChIKeyQKCBITZDTBBHAW-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.57
Rot. Bonds3

About 2-chloro-N-pyridin-2-yl-5-(1,2,4-triazol-4-yl)benzamide

2-chloro-N-pyridin-2-yl-5-(1,2,4-triazol-4-yl)benzamide (PubChem CID 1263310) has the molecular formula C14H10ClN5O and a molecular weight of 299.72 g/mol. Its IUPAC name is 2-chloro-N-pyridin-2-yl-5-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-pyridin-2-yl-5-(1,2,4-triazol-4-yl)benzamide
PubChem CID1263310
Molecular FormulaC14H10ClN5O
Molecular Weight299.72 g/mol
Exact Mass299.06
IUPAC Name2-chloro-N-pyridin-2-yl-5-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nc1ccccn1)c1cc(-n2cnnc2)ccc1Cl
InChIInChI=1S/C14H10ClN5O/c15-12-5-4-10(20-8-17-18-9-20)7-11(12)14(21)19-13-3-1-2-6-16-13/h1-9H,(H,16,19,21)
InChIKeyQKCBITZDTBBHAW-UHFFFAOYSA-N
XLogP2.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pyridin-2-yl-5-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-pyridin-2-yl-5-(1,2,4-triazol-4-yl)benzamide (CID 1263310) is 2-chloro-N-pyridin-2-yl-5-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-pyridin-2-yl-5-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-pyridin-2-yl-5-(1,2,4-triazol-4-yl)benzamide is O=C(Nc1ccccn1)c1cc(-n2cnnc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-pyridin-2-yl-5-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is QKCBITZDTBBHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O/c15-12-5-4-10(20-8-17-18-9-20)7-11(12)14(21)19-13-3-1-2-6-16-13/h1-9H,(H,16,19,21).
What are the key properties of 2-chloro-N-pyridin-2-yl-5-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-pyridin-2-yl-5-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 299.72 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pyridin-2-yl-5-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 1263310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).