1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea

C13H14N4O4 — CID 108887187

IUPAC1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(=O)[nH]n2)cc1OC
InChIInChI=1S/C13H14N4O4/c1-20-9-4-3-8(7-10(9)21-2)14-13(19)15-11-5-6-12(18)17-16-11/h3-7H,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyPARVENLHYJNNRO-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.43
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea

1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (PubChem CID 108887187) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
PubChem CID108887187
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(=O)[nH]n2)cc1OC
InChIInChI=1S/C13H14N4O4/c1-20-9-4-3-8(7-10(9)21-2)14-13(19)15-11-5-6-12(18)17-16-11/h3-7H,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyPARVENLHYJNNRO-UHFFFAOYSA-N
XLogP1.43
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887535
1-(4-bromo-2-pyridinyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866306
N-(3,4-dimethoxyphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832116
N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600732
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866246
1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113020117
1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4995213
1-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)urea
CID 23764462
(3,4-dimethoxyphenyl)urea
CID 21197430
1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea
CID 971209
[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl] thiocyanate
CID 108866232
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (CID 108887187) is 1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is COc1ccc(NC(=O)Nc2ccc(=O)[nH]n2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The InChIKey is PARVENLHYJNNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-20-9-4-3-8(7-10(9)21-2)14-13(19)15-11-5-6-12(18)17-16-11/h3-7H,1-2H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea has a molecular weight of 290.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is sourced from PubChem (CID 108887187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).