6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide

C12H12N4O3 — CID 102702984

IUPAC6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide
SMILESCOc1ccc(N)c(Oc2ccc(C(N)=O)nn2)c1
InChIInChI=1S/C12H12N4O3/c1-18-7-2-3-8(13)10(6-7)19-11-5-4-9(12(14)17)15-16-11/h2-6H,13H2,1H3,(H2,14,17)
InChIKeyJKMSVHJFYNYZQA-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.96
Rot. Bonds4

About 6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide

6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide (PubChem CID 102702984) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide
PubChem CID102702984
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide
SMILESCOc1ccc(N)c(Oc2ccc(C(N)=O)nn2)c1
InChIInChI=1S/C12H12N4O3/c1-18-7-2-3-8(13)10(6-7)19-11-5-4-9(12(14)17)15-16-11/h2-6H,13H2,1H3,(H2,14,17)
InChIKeyJKMSVHJFYNYZQA-UHFFFAOYSA-N
XLogP0.96
TPSA113.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide
CID 114409213
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
4-methoxy-2-trimethylsilyloxyaniline
CID 167737964
4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline
CID 81342391
4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid
CID 107672579
2,4-dimethoxyaniline;sulfuric acid
CID 160678823
2-amino-5-methoxybenzamide;ethane
CID 142071126
3-(2-amino-5-methoxyphenoxy)propanoic acid
CID 102702334
2-[2-(6-carbamoylpyridazin-3-yl)oxyphenyl]acetic acid
CID 80742351
methyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate
CID 102703090
N-(2,5-dimethoxyphenyl)-6-methoxypyridazine-3-carboxamide
CID 90509292
6-(2-amino-6-chlorophenoxy)pyridazine-3-carboxamide
CID 107717917

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide (CID 102702984) is 6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide is COc1ccc(N)c(Oc2ccc(C(N)=O)nn2)c1.
What is the InChIKey of 6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide?
The InChIKey is JKMSVHJFYNYZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-18-7-2-3-8(13)10(6-7)19-11-5-4-9(12(14)17)15-16-11/h2-6H,13H2,1H3,(H2,14,17).
What are the key properties of 6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide?
6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide is sourced from PubChem (CID 102702984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).