3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pyrazine-2-carboxylic acid

C11H9N5O4 — CID 63262070

IUPAC3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCn1nc(C(=O)Nc2nccnc2C(=O)O)ccc1=O
InChIInChI=1S/C11H9N5O4/c1-16-7(17)3-2-6(15-16)10(18)14-9-8(11(19)20)12-4-5-13-9/h2-5H,1H3,(H,19,20)(H,13,14,18)
InChIKeyFQEPFFFDSCRBON-UHFFFAOYSA-N
MW275.22 g/mol
LogP-0.48
Rot. Bonds3

About 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pyrazine-2-carboxylic acid

3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pyrazine-2-carboxylic acid (PubChem CID 63262070) has the molecular formula C11H9N5O4 and a molecular weight of 275.22 g/mol. Its IUPAC name is 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pyrazine-2-carboxylic acid
PubChem CID63262070
Molecular FormulaC11H9N5O4
Molecular Weight275.22 g/mol
Exact Mass275.07
IUPAC Name3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCn1nc(C(=O)Nc2nccnc2C(=O)O)ccc1=O
InChIInChI=1S/C11H9N5O4/c1-16-7(17)3-2-6(15-16)10(18)14-9-8(11(19)20)12-4-5-13-9/h2-5H,1H3,(H,19,20)(H,13,14,18)
InChIKeyFQEPFFFDSCRBON-UHFFFAOYSA-N
XLogP-0.48
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(5-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63262373
2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 60749367
3-acetamidopyrazine-2-carboxylic acid
CID 10511603
5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 43172077
3-hydroxy-4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 60826901
1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide
CID 86998524
3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63262147
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide
CID 26907068
1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 7914842
N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 122300799
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55647641

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pyrazine-2-carboxylic acid (CID 63262070) is 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pyrazine-2-carboxylic acid is Cn1nc(C(=O)Nc2nccnc2C(=O)O)ccc1=O.
What is the InChIKey of 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is FQEPFFFDSCRBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O4/c1-16-7(17)3-2-6(15-16)10(18)14-9-8(11(19)20)12-4-5-13-9/h2-5H,1H3,(H,19,20)(H,13,14,18).
What are the key properties of 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pyrazine-2-carboxylic acid?
3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 275.22 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63262070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).