1-methyl-6-oxo-N-propan-2-ylpyridazine-3-carboxamide

C9H13N3O2 — CID 42443181

IUPAC1-methyl-6-oxo-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C9H13N3O2/c1-6(2)10-9(14)7-4-5-8(13)12(3)11-7/h4-6H,1-3H3,(H,10,14)
InChIKeyCIGFFMYBUWZSMW-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.08
Rot. Bonds2

About 1-methyl-6-oxo-N-propan-2-ylpyridazine-3-carboxamide

1-methyl-6-oxo-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 42443181) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID42443181
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-methyl-6-oxo-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C9H13N3O2/c1-6(2)10-9(14)7-4-5-8(13)12(3)11-7/h4-6H,1-3H3,(H,10,14)
InChIKeyCIGFFMYBUWZSMW-UHFFFAOYSA-N
XLogP-0.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 1932907
N-cycloheptyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 2574206
3-(3-Methyl-6-oxopyridazin-1(6H)-yl)propanamide
CID 12787584
N-[2-(dimethylamino)ethyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443194
N-(2-methoxyethyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443195
N-cyclopentyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 9168301
N-[(2S)-3-methylbutan-2-yl]-6-oxo-N-prop-2-enyl-1H-pyridazine-3-carboxamide
CID 40151649
N-(1-cyclopropylethyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 45850331
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 45893393
2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide
CID 170266150
(3e)-N,N-dimethyl-4-(3-oxo-2,3-dihydropyridazin-6-yl)but-3-enamide
CID 155801722
6-oxo-N-(2,2,2-trifluoroethyl)-1,6-dihydropyridazine-3-carboxamide
CID 37067126

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-propan-2-ylpyridazine-3-carboxamide (CID 42443181) is 1-methyl-6-oxo-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-propan-2-ylpyridazine-3-carboxamide is CC(C)NC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of 1-methyl-6-oxo-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is CIGFFMYBUWZSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)10-9(14)7-4-5-8(13)12(3)11-7/h4-6H,1-3H3,(H,10,14).
What are the key properties of 1-methyl-6-oxo-N-propan-2-ylpyridazine-3-carboxamide?
1-methyl-6-oxo-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 195.22 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 42443181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).