1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea

C13H14N4O2 — CID 108887302

IUPAC1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(=O)[nH]n2)c(C)c1
InChIInChI=1S/C13H14N4O2/c1-8-3-4-10(9(2)7-8)14-13(19)15-11-5-6-12(18)17-16-11/h3-7H,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyGLOKUIOMCFNVSO-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.03
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea

1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (PubChem CID 108887302) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
PubChem CID108887302
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(=O)[nH]n2)c(C)c1
InChIInChI=1S/C13H14N4O2/c1-8-3-4-10(9(2)7-8)14-13(19)15-11-5-6-12(18)17-16-11/h3-7H,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyGLOKUIOMCFNVSO-UHFFFAOYSA-N
XLogP2.03
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydrazinyl-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116788140
2-hydrazinyl-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116788149
2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116787212
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
1-(2,4-dimethylphenyl)-3-(1-propan-2-yltriazol-4-yl)urea
CID 167868735
1-(2,4-dimethylphenyl)-3-prop-2-ynylurea
CID 97180603
N-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865070
1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea
CID 35591898
1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886354
N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950798
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 31456332

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (CID 108887302) is 1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is Cc1ccc(NC(=O)Nc2ccc(=O)[nH]n2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The InChIKey is GLOKUIOMCFNVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-3-4-10(9(2)7-8)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-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea has a molecular weight of 258.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is sourced from PubChem (CID 108887302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).