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

C15H12ClN5O — CID 39860357

IUPACN-(2-chlorophenyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2cccnc2)n[nH]1)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClN5O/c16-11-5-1-2-6-12(11)18-14(22)8-13-19-15(21-20-13)10-4-3-7-17-9-10/h1-7,9H,8H2,(H,18,22)(H,19,20,21)
InChIKeySPVPOGWMHKUDEK-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.70
Rot. Bonds4

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

N-(2-chlorophenyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 39860357) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID39860357
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC NameN-(2-chlorophenyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2cccnc2)n[nH]1)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClN5O/c16-11-5-1-2-6-12(11)18-14(22)8-13-19-15(21-20-13)10-4-3-7-17-9-10/h1-7,9H,8H2,(H,18,22)(H,19,20,21)
InChIKeySPVPOGWMHKUDEK-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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Related Compounds

2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 73440586
3-[5-(2-bromoethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 123335634
N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499380
5-oxo-5-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pentanoic acid
CID 123409970
N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 91790598
N-(2-chlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8745943
N-(2-chlorophenyl)-2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2814641
N-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 1092464
4-fluoro-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]benzenesulfonamide
CID 46958763
N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide
CID 126468371
2-cyano-N-[4-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 168522742
N-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001781

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide (CID 39860357) is N-(2-chlorophenyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide is O=C(Cc1nc(-c2cccnc2)n[nH]1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is SPVPOGWMHKUDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c16-11-5-1-2-6-12(11)18-14(22)8-13-19-15(21-20-13)10-4-3-7-17-9-10/h1-7,9H,8H2,(H,18,22)(H,19,20,21).
What are the key properties of N-(2-chlorophenyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide?
N-(2-chlorophenyl)-2-(3-pyridin-3-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-(2-chlorophenyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 39860357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).