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

C8H10N2O3 — CID 84658338

IUPAC6-oxo-1-propylpyridazine-4-carboxylic acid
SMILESCCCn1ncc(C(=O)O)cc1=O
InChIInChI=1S/C8H10N2O3/c1-2-3-10-7(11)4-6(5-9-10)8(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyXVFKXKXGPZMQMQ-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.35
Rot. Bonds3

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

6-oxo-1-propylpyridazine-4-carboxylic acid (PubChem CID 84658338) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 6-oxo-1-propylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-propylpyridazine-4-carboxylic acid
PubChem CID84658338
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name6-oxo-1-propylpyridazine-4-carboxylic acid
SMILESCCCn1ncc(C(=O)O)cc1=O
InChIInChI=1S/C8H10N2O3/c1-2-3-10-7(11)4-6(5-9-10)8(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyXVFKXKXGPZMQMQ-UHFFFAOYSA-N
XLogP0.35
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-6-oxo-1,6-dihydropyridazine-4-carboxylic acid
CID 66617048
2-Isopropyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid
CID 97181358
2-Isobutyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid
CID 97181361
Methyl 1-ethyl-6-oxopyridazine-4-carboxylate
CID 155228048
2-Methyl-3-(6-oxopyridazin-1-yl)propanoic acid
CID 62848719
(E)-4-(6-oxopyridazin-1-yl)but-2-enoic acid
CID 62848893
2-[(6-Oxopyridazin-1-yl)methyl]prop-2-enoic acid
CID 64116288
4-(6-Oxopyridazin-1-yl)but-2-enoic acid
CID 76950739
3-Methyl-4-(6-oxopyridazin-1-yl)but-2-enoic acid
CID 76975077
2-Methyl-4-(6-oxopyridazin-1-yl)but-2-enoic acid
CID 77076172
2-Ethyl-4-(6-oxopyridazin-1-yl)but-2-enoic acid
CID 77102290
2,2-Dimethyl-3-(6-oxopyridazin-1-yl)propanoic acid
CID 79630256

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propylpyridazine-4-carboxylic acid?
The IUPAC name of 6-oxo-1-propylpyridazine-4-carboxylic acid (CID 84658338) is 6-oxo-1-propylpyridazine-4-carboxylic acid.
What is the SMILES notation for 6-oxo-1-propylpyridazine-4-carboxylic acid?
The canonical SMILES for 6-oxo-1-propylpyridazine-4-carboxylic acid is CCCn1ncc(C(=O)O)cc1=O.
What is the InChIKey of 6-oxo-1-propylpyridazine-4-carboxylic acid?
The InChIKey is XVFKXKXGPZMQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-3-10-7(11)4-6(5-9-10)8(12)13/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 6-oxo-1-propylpyridazine-4-carboxylic acid?
6-oxo-1-propylpyridazine-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propylpyridazine-4-carboxylic acid is sourced from PubChem (CID 84658338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).