4-imino-5-methoxy-1-pyridin-3-ylpyridazine-3-carboxylic acid

C11H10N4O3 — CID 163714827

IUPAC4-imino-5-methoxy-1-pyridin-3-ylpyridazine-3-carboxylic acid
SMILES[H]/N=c1\c(OC)cn(-c2cccnc2)nc1C(=O)O
InChIInChI=1S/C11H10N4O3/c1-18-8-6-15(7-3-2-4-13-5-7)14-10(9(8)12)11(16)17/h2-6,12H,1H3,(H,16,17)/b12-9+
InChIKeyKMKYOWVSUFJVGX-FMIVXFBMSA-N
MW246.23 g/mol
LogP0.45
Rot. Bonds3

About 4-imino-5-methoxy-1-pyridin-3-ylpyridazine-3-carboxylic acid

4-imino-5-methoxy-1-pyridin-3-ylpyridazine-3-carboxylic acid (PubChem CID 163714827) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-imino-5-methoxy-1-pyridin-3-ylpyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-imino-5-methoxy-1-pyridin-3-ylpyridazine-3-carboxylic acid
PubChem CID163714827
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name4-imino-5-methoxy-1-pyridin-3-ylpyridazine-3-carboxylic acid
SMILES[H]/N=c1\c(OC)cn(-c2cccnc2)nc1C(=O)O
InChIInChI=1S/C11H10N4O3/c1-18-8-6-15(7-3-2-4-13-5-7)14-10(9(8)12)11(16)17/h2-6,12H,1H3,(H,16,17)/b12-9+
InChIKeyKMKYOWVSUFJVGX-FMIVXFBMSA-N
XLogP0.45
TPSA101.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one
CID 59436177
5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid
CID 58072535
N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)pyridine-3-carbohydrazide
CID 26721272
3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride
CID 146381573
3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
CID 67456871
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
1-pyridin-3-yl-1,2,4-triazole-3-carboxylic acid
CID 76845333
4-(2,2,3,3,3-pentafluoropropoxy)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 142469774
4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid
CID 1478012
4-(4-methoxybutoxy)-1-phenylpyrazole-3-carboxylic acid
CID 104646795
4-methoxy-1-phenyl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 24538158
N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)acetamide
CID 144831982

Frequently Asked Questions

What is the IUPAC name of 4-imino-5-methoxy-1-pyridin-3-ylpyridazine-3-carboxylic acid?
The IUPAC name of 4-imino-5-methoxy-1-pyridin-3-ylpyridazine-3-carboxylic acid (CID 163714827) is 4-imino-5-methoxy-1-pyridin-3-ylpyridazine-3-carboxylic acid.
What is the SMILES notation for 4-imino-5-methoxy-1-pyridin-3-ylpyridazine-3-carboxylic acid?
The canonical SMILES for 4-imino-5-methoxy-1-pyridin-3-ylpyridazine-3-carboxylic acid is [H]/N=c1\c(OC)cn(-c2cccnc2)nc1C(=O)O.
What is the InChIKey of 4-imino-5-methoxy-1-pyridin-3-ylpyridazine-3-carboxylic acid?
The InChIKey is KMKYOWVSUFJVGX-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-18-8-6-15(7-3-2-4-13-5-7)14-10(9(8)12)11(16)17/h2-6,12H,1H3,(H,16,17)/b12-9+.
What are the key properties of 4-imino-5-methoxy-1-pyridin-3-ylpyridazine-3-carboxylic acid?
4-imino-5-methoxy-1-pyridin-3-ylpyridazine-3-carboxylic acid has a molecular weight of 246.23 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-methoxy-1-pyridin-3-ylpyridazine-3-carboxylic acid is sourced from PubChem (CID 163714827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).