1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C12H15N3O4 — CID 43351127

IUPAC1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCn1nc(C(=O)NC2(C(=O)O)CCCC2)ccc1=O
InChIInChI=1S/C12H15N3O4/c1-15-9(16)5-4-8(14-15)10(17)13-12(11(18)19)6-2-3-7-12/h4-5H,2-3,6-7H2,1H3,(H,13,17)(H,18,19)
InChIKeyOUNHTKRLGSXMNY-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.09
Rot. Bonds3

About 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43351127) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43351127
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCn1nc(C(=O)NC2(C(=O)O)CCCC2)ccc1=O
InChIInChI=1S/C12H15N3O4/c1-15-9(16)5-4-8(14-15)10(17)13-12(11(18)19)6-2-3-7-12/h4-5H,2-3,6-7H2,1H3,(H,13,17)(H,18,19)
InChIKeyOUNHTKRLGSXMNY-UHFFFAOYSA-N
XLogP-0.09
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 32470480
(2S,3S)-3-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid
CID 39261609
(2R)-4-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid
CID 39261612
(2S)-4-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid
CID 39261615
4-Methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 43091764
1-[(1-Methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43091966
4-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid
CID 43170143
2-Cyclopropyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
CID 43172506
1-[(1-Methyl-6-oxopyridazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43172620
3-Methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 43239992
1-[(6-Oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43351096
4-Methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43353335

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 43351127) is 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is Cn1nc(C(=O)NC2(C(=O)O)CCCC2)ccc1=O.
What is the InChIKey of 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is OUNHTKRLGSXMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-15-9(16)5-4-8(14-15)10(17)13-12(11(18)19)6-2-3-7-12/h4-5H,2-3,6-7H2,1H3,(H,13,17)(H,18,19).
What are the key properties of 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43351127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).