1-(4-chlorophenyl)-N-methyl-4-oxopyridazine-3-carboxamide

C12H10ClN3O2 — CID 3828798

IUPAC1-(4-chlorophenyl)-N-methyl-4-oxopyridazine-3-carboxamide
SMILESCNC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C12H10ClN3O2/c1-14-12(18)11-10(17)6-7-16(15-11)9-4-2-8(13)3-5-9/h2-7H,1H3,(H,14,18)
InChIKeyZLXSNRJBZCTKHD-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.25
Rot. Bonds2

About 1-(4-chlorophenyl)-N-methyl-4-oxopyridazine-3-carboxamide

1-(4-chlorophenyl)-N-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 3828798) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-4-oxopyridazine-3-carboxamide
PubChem CID3828798
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name1-(4-chlorophenyl)-N-methyl-4-oxopyridazine-3-carboxamide
SMILESCNC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C12H10ClN3O2/c1-14-12(18)11-10(17)6-7-16(15-11)9-4-2-8(13)3-5-9/h2-7H,1H3,(H,14,18)
InChIKeyZLXSNRJBZCTKHD-UHFFFAOYSA-N
XLogP1.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-4-oxopyridazine-3-carboxamide (CID 3828798) is 1-(4-chlorophenyl)-N-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-4-oxopyridazine-3-carboxamide is CNC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is ZLXSNRJBZCTKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-14-12(18)11-10(17)6-7-16(15-11)9-4-2-8(13)3-5-9/h2-7H,1H3,(H,14,18).
What are the key properties of 1-(4-chlorophenyl)-N-methyl-4-oxopyridazine-3-carboxamide?
1-(4-chlorophenyl)-N-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 263.68 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 3828798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).