1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C12H17N3O4 — CID 43169409

IUPAC1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCN1N=C(C(=O)NC2(C(=O)O)CCCC2)CCC1=O
InChIInChI=1S/C12H17N3O4/c1-15-9(16)5-4-8(14-15)10(17)13-12(11(18)19)6-2-3-7-12/h2-7H2,1H3,(H,13,17)(H,18,19)
InChIKeyHUXWEGNKRDOIJZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.11
Rot. Bonds3

About 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43169409) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43169409
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCN1N=C(C(=O)NC2(C(=O)O)CCCC2)CCC1=O
InChIInChI=1S/C12H17N3O4/c1-15-9(16)5-4-8(14-15)10(17)13-12(11(18)19)6-2-3-7-12/h2-7H2,1H3,(H,13,17)(H,18,19)
InChIKeyHUXWEGNKRDOIJZ-UHFFFAOYSA-N
XLogP0.11
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65450800
1-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43172479
3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 43170671
(2R)-3,3-dimethyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 93054890
1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120512742
N-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 34802438
1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide
CID 30384665
(2R)-4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 114004932
4-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid
CID 62042860
1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120530960
(3S)-3-fluoro-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 129467681
1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24540154

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 43169409) is 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is CN1N=C(C(=O)NC2(C(=O)O)CCCC2)CCC1=O.
What is the InChIKey of 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is HUXWEGNKRDOIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-15-9(16)5-4-8(14-15)10(17)13-12(11(18)19)6-2-3-7-12/h2-7H2,1H3,(H,13,17)(H,18,19).
What are the key properties of 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43169409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).