1-[3-(6-methoxypyridazin-3-yl)phenyl]-3-(4-methylphenyl)urea

C19H18N4O2 — CID 42109887

IUPAC1-[3-(6-methoxypyridazin-3-yl)phenyl]-3-(4-methylphenyl)urea
SMILESCOc1ccc(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)nn1
InChIInChI=1S/C19H18N4O2/c1-13-6-8-15(9-7-13)20-19(24)21-16-5-3-4-14(12-16)17-10-11-18(25-2)23-22-17/h3-12H,1-2H3,(H2,20,21,24)
InChIKeyMHUAZTFIZTVAPB-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.10
Rot. Bonds4

About 1-[3-(6-methoxypyridazin-3-yl)phenyl]-3-(4-methylphenyl)urea

1-[3-(6-methoxypyridazin-3-yl)phenyl]-3-(4-methylphenyl)urea (PubChem CID 42109887) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-[3-(6-methoxypyridazin-3-yl)phenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[3-(6-methoxypyridazin-3-yl)phenyl]-3-(4-methylphenyl)urea
PubChem CID42109887
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name1-[3-(6-methoxypyridazin-3-yl)phenyl]-3-(4-methylphenyl)urea
SMILESCOc1ccc(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)nn1
InChIInChI=1S/C19H18N4O2/c1-13-6-8-15(9-7-13)20-19(24)21-16-5-3-4-14(12-16)17-10-11-18(25-2)23-22-17/h3-12H,1-2H3,(H2,20,21,24)
InChIKeyMHUAZTFIZTVAPB-UHFFFAOYSA-N
XLogP4.10
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxypyridazin-3-yl)phenyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[3-(6-methoxypyridazin-3-yl)phenyl]-3-(4-methylphenyl)urea (CID 42109887) is 1-[3-(6-methoxypyridazin-3-yl)phenyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[3-(6-methoxypyridazin-3-yl)phenyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[3-(6-methoxypyridazin-3-yl)phenyl]-3-(4-methylphenyl)urea is COc1ccc(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)nn1.
What is the InChIKey of 1-[3-(6-methoxypyridazin-3-yl)phenyl]-3-(4-methylphenyl)urea?
The InChIKey is MHUAZTFIZTVAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-6-8-15(9-7-13)20-19(24)21-16-5-3-4-14(12-16)17-10-11-18(25-2)23-22-17/h3-12H,1-2H3,(H2,20,21,24).
What are the key properties of 1-[3-(6-methoxypyridazin-3-yl)phenyl]-3-(4-methylphenyl)urea?
1-[3-(6-methoxypyridazin-3-yl)phenyl]-3-(4-methylphenyl)urea has a molecular weight of 334.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methoxypyridazin-3-yl)phenyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 42109887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).