2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide

C14H11ClN6O2 — CID 71704635

IUPAC2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1ncn[nH]1
InChIInChI=1S/C14H11ClN6O2/c15-10-4-2-1-3-9(10)11-5-6-13(23)21(20-11)7-12(22)18-14-16-8-17-19-14/h1-6,8H,7H2,(H2,16,17,18,19,22)
InChIKeyVKQKFULXJOQZTH-UHFFFAOYSA-N
MW330.74 g/mol
LogP1.32
Rot. Bonds4

About 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide

2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 71704635) has the molecular formula C14H11ClN6O2 and a molecular weight of 330.74 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID71704635
Molecular FormulaC14H11ClN6O2
Molecular Weight330.74 g/mol
Exact Mass330.06
IUPAC Name2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1ncn[nH]1
InChIInChI=1S/C14H11ClN6O2/c15-10-4-2-1-3-9(10)11-5-6-13(23)21(20-11)7-12(22)18-14-16-8-17-19-14/h1-6,8H,7H2,(H2,16,17,18,19,22)
InChIKeyVKQKFULXJOQZTH-UHFFFAOYSA-N
XLogP1.32
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 53367843
(2R)-2-[[2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-methylbutanoic acid
CID 95395393
N-(2,3-dichlorophenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7672039
N-(5-chloro-2-methoxyphenyl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370217
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 53367933
4-[[[2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]methyl]benzoic acid
CID 53370001
N-(1H-benzimidazol-2-yl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052073
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1-propan-2-ylindol-4-yl)acetamide
CID 56761363
N-(3-chloro-4-fluorophenyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51043652
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 53367656
N-(3-chloro-2-methylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662903
N-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51044493

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 71704635) is 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1ncn[nH]1.
What is the InChIKey of 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is VKQKFULXJOQZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6O2/c15-10-4-2-1-3-9(10)11-5-6-13(23)21(20-11)7-12(22)18-14-16-8-17-19-14/h1-6,8H,7H2,(H2,16,17,18,19,22).
What are the key properties of 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 330.74 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 71704635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).