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

C13H17N3O4 — CID 43091966

IUPAC1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1nc(C(=O)NC2(C(=O)O)CCCCC2)ccc1=O
InChIInChI=1S/C13H17N3O4/c1-16-10(17)6-5-9(15-16)11(18)14-13(12(19)20)7-3-2-4-8-13/h5-6H,2-4,7-8H2,1H3,(H,14,18)(H,19,20)
InChIKeyIYNJKVWGJGDIPV-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.30
Rot. Bonds3

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

1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 43091966) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID43091966
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1nc(C(=O)NC2(C(=O)O)CCCCC2)ccc1=O
InChIInChI=1S/C13H17N3O4/c1-16-10(17)6-5-9(15-16)11(18)14-13(12(19)20)7-3-2-4-8-13/h5-6H,2-4,7-8H2,1H3,(H,14,18)(H,19,20)
InChIKeyIYNJKVWGJGDIPV-UHFFFAOYSA-N
XLogP0.30
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 43091966) is 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is Cn1nc(C(=O)NC2(C(=O)O)CCCCC2)ccc1=O.
What is the InChIKey of 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is IYNJKVWGJGDIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-16-10(17)6-5-9(15-16)11(18)14-13(12(19)20)7-3-2-4-8-13/h5-6H,2-4,7-8H2,1H3,(H,14,18)(H,19,20).
What are the key properties of 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.30, 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]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43091966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).