N-(4-chlorophenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide

C15H12ClN5O — CID 53168728

IUPACN-(4-chlorophenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2ccccn2)n[nH]1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN5O/c16-10-4-6-11(7-5-10)18-14(22)9-13-19-15(21-20-13)12-3-1-2-8-17-12/h1-8H,9H2,(H,18,22)(H,19,20,21)
InChIKeyIPLUVKORASCQLU-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.70
Rot. Bonds4

About N-(4-chlorophenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide

N-(4-chlorophenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 53168728) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID53168728
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC NameN-(4-chlorophenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2ccccn2)n[nH]1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN5O/c16-10-4-6-11(7-5-10)18-14(22)9-13-19-15(21-20-13)12-3-1-2-8-17-12/h1-8H,9H2,(H,18,22)(H,19,20,21)
InChIKeyIPLUVKORASCQLU-UHFFFAOYSA-N
XLogP2.70
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide (CID 53168728) is N-(4-chlorophenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide is O=C(Cc1nc(-c2ccccn2)n[nH]1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is IPLUVKORASCQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c16-10-4-6-11(7-5-10)18-14(22)9-13-19-15(21-20-13)12-3-1-2-8-17-12/h1-8H,9H2,(H,18,22)(H,19,20,21).
What are the key properties of N-(4-chlorophenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
N-(4-chlorophenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 313.75 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 53168728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).