N-(3,4-dimethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide

C13H13N3O2 — CID 947831

IUPACN-(3,4-dimethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1C
InChIInChI=1S/C13H13N3O2/c1-8-3-4-10(7-9(8)2)14-13(18)11-5-6-12(17)16-15-11/h3-7H,1-2H3,(H,14,18)(H,16,17)
InChIKeyLNRAQPTZXGSGLH-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.64
Rot. Bonds2

About N-(3,4-dimethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(3,4-dimethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 947831) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID947831
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(3,4-dimethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1C
InChIInChI=1S/C13H13N3O2/c1-8-3-4-10(7-9(8)2)14-13(18)11-5-6-12(17)16-15-11/h3-7H,1-2H3,(H,14,18)(H,16,17)
InChIKeyLNRAQPTZXGSGLH-UHFFFAOYSA-N
XLogP1.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 947831) is N-(3,4-dimethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is LNRAQPTZXGSGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-3-4-10(7-9(8)2)14-13(18)11-5-6-12(17)16-15-11/h3-7H,1-2H3,(H,14,18)(H,16,17).
What are the key properties of N-(3,4-dimethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(3,4-dimethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 947831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).