3-methyl-6-oxo-1-propylpyridazine-4-carboxylic acid

C9H12N2O3 — CID 83698939

IUPAC3-methyl-6-oxo-1-propylpyridazine-4-carboxylic acid
SMILESCCCn1nc(C)c(C(=O)O)cc1=O
InChIInChI=1S/C9H12N2O3/c1-3-4-11-8(12)5-7(9(13)14)6(2)10-11/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyQKEJFIBVUYSNIS-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.66
Rot. Bonds3

About 3-methyl-6-oxo-1-propylpyridazine-4-carboxylic acid

3-methyl-6-oxo-1-propylpyridazine-4-carboxylic acid (PubChem CID 83698939) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-methyl-6-oxo-1-propylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-6-oxo-1-propylpyridazine-4-carboxylic acid
PubChem CID83698939
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-methyl-6-oxo-1-propylpyridazine-4-carboxylic acid
SMILESCCCn1nc(C)c(C(=O)O)cc1=O
InChIInChI=1S/C9H12N2O3/c1-3-4-11-8(12)5-7(9(13)14)6(2)10-11/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyQKEJFIBVUYSNIS-UHFFFAOYSA-N
XLogP0.66
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Ethyl-2-methyl-3-oxopyridazine-4-carboxylic acid
CID 83636286
5-(C,N-dimethylcarbonimidoyl)-1-methyl-6-oxopyridazine-3-carboxylic acid
CID 123314698
2-[4-(Dimethylamino)-4-oxobutyl]-6-methyl-3-oxopyridazine-4-carboxylic acid
CID 141761422
2-[3-(Dimethylamino)-3-oxopropyl]-6-methyl-3-oxopyridazine-4-carboxylic acid
CID 141761438
3-(1-Ethyl-6-oxopyridazin-3-yl)propanoic acid
CID 28473421
3-[1-(2-Methylpropyl)-6-oxopyridazin-3-yl]propanoic acid
CID 28473426
3-(6-Oxo-1-propylpyridazin-3-yl)propanoic acid
CID 28473431
1-(2-Methylpropyl)-6-oxopyridazine-3-carboxylic acid
CID 43114824
(E)-4-(3-methyl-6-oxopyridazin-1-yl)but-2-enoic acid
CID 62923037
4-(3-Methyl-6-oxopyridazin-1-yl)butanoic acid
CID 62923347
2-Methyl-3-(3-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 62923351
2-[(3-Methyl-6-oxopyridazin-1-yl)methyl]prop-2-enoic acid
CID 64116703

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-oxo-1-propylpyridazine-4-carboxylic acid?
The IUPAC name of 3-methyl-6-oxo-1-propylpyridazine-4-carboxylic acid (CID 83698939) is 3-methyl-6-oxo-1-propylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-6-oxo-1-propylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-methyl-6-oxo-1-propylpyridazine-4-carboxylic acid is CCCn1nc(C)c(C(=O)O)cc1=O.
What is the InChIKey of 3-methyl-6-oxo-1-propylpyridazine-4-carboxylic acid?
The InChIKey is QKEJFIBVUYSNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-4-11-8(12)5-7(9(13)14)6(2)10-11/h5H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-6-oxo-1-propylpyridazine-4-carboxylic acid?
3-methyl-6-oxo-1-propylpyridazine-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-oxo-1-propylpyridazine-4-carboxylic acid is sourced from PubChem (CID 83698939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).