(5-benzyl-6-methylpyridazin-3-yl)urea

C13H14N4O — CID 10444412

IUPAC(5-benzyl-6-methylpyridazin-3-yl)urea
SMILESCc1nnc(NC(N)=O)cc1Cc1ccccc1
InChIInChI=1S/C13H14N4O/c1-9-11(7-10-5-3-2-4-6-10)8-12(17-16-9)15-13(14)18/h2-6,8H,7H2,1H3,(H3,14,15,17,18)
InChIKeyCUIBOEVSGFAQED-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.87
Rot. Bonds3

About (5-benzyl-6-methylpyridazin-3-yl)urea

(5-benzyl-6-methylpyridazin-3-yl)urea (PubChem CID 10444412) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is (5-benzyl-6-methylpyridazin-3-yl)urea.

Molecular Properties

Compound Name(5-benzyl-6-methylpyridazin-3-yl)urea
PubChem CID10444412
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name(5-benzyl-6-methylpyridazin-3-yl)urea
SMILESCc1nnc(NC(N)=O)cc1Cc1ccccc1
InChIInChI=1S/C13H14N4O/c1-9-11(7-10-5-3-2-4-6-10)8-12(17-16-9)15-13(14)18/h2-6,8H,7H2,1H3,(H3,14,15,17,18)
InChIKeyCUIBOEVSGFAQED-UHFFFAOYSA-N
XLogP1.87
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-benzyl-6-methylpyridazin-3-yl)urea?
The IUPAC name of (5-benzyl-6-methylpyridazin-3-yl)urea (CID 10444412) is (5-benzyl-6-methylpyridazin-3-yl)urea.
What is the SMILES notation for (5-benzyl-6-methylpyridazin-3-yl)urea?
The canonical SMILES for (5-benzyl-6-methylpyridazin-3-yl)urea is Cc1nnc(NC(N)=O)cc1Cc1ccccc1.
What is the InChIKey of (5-benzyl-6-methylpyridazin-3-yl)urea?
The InChIKey is CUIBOEVSGFAQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-11(7-10-5-3-2-4-6-10)8-12(17-16-9)15-13(14)18/h2-6,8H,7H2,1H3,(H3,14,15,17,18).
What are the key properties of (5-benzyl-6-methylpyridazin-3-yl)urea?
(5-benzyl-6-methylpyridazin-3-yl)urea has a molecular weight of 242.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-6-methylpyridazin-3-yl)urea is sourced from PubChem (CID 10444412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).