2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide

C12H11ClN4O2 — CID 8567196

IUPAC2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
SMILESNC(=O)CNc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C12H11ClN4O2/c13-11-9(15-7-10(14)18)6-16-17(12(11)19)8-4-2-1-3-5-8/h1-6,15H,7H2,(H2,14,18)
InChIKeyLJOUDCRFRPBFEQ-UHFFFAOYSA-N
MW278.70 g/mol
LogP0.78
Rot. Bonds4

About 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide

2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide (PubChem CID 8567196) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
PubChem CID8567196
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
SMILESNC(=O)CNc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C12H11ClN4O2/c13-11-9(15-7-10(14)18)6-16-17(12(11)19)8-4-2-1-3-5-8/h1-6,15H,7H2,(H2,14,18)
InChIKeyLJOUDCRFRPBFEQ-UHFFFAOYSA-N
XLogP0.78
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate
CID 15152626
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 9195713
4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide
CID 133430645
4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one
CID 133472201
4-chloro-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-phenylpyridazin-3-one
CID 133332334
4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
CID 24998005
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]acetamide
CID 114431801
4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one
CID 9172583
4-chloro-2-phenyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridazin-3-one
CID 8892435
4-chloro-5-[[(2S)-1-hydroxybutan-2-yl]amino]-2-phenylpyridazin-3-one
CID 133434585
5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one
CID 17489044
4-chloro-5-(1,4-dithian-2-ylmethylamino)-2-phenylpyridazin-3-one
CID 133348833

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide?
The IUPAC name of 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide (CID 8567196) is 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide?
The canonical SMILES for 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide is NC(=O)CNc1cnn(-c2ccccc2)c(=O)c1Cl.
What is the InChIKey of 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide?
The InChIKey is LJOUDCRFRPBFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c13-11-9(15-7-10(14)18)6-16-17(12(11)19)8-4-2-1-3-5-8/h1-6,15H,7H2,(H2,14,18).
What are the key properties of 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide?
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide has a molecular weight of 278.70 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide is sourced from PubChem (CID 8567196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).