1-benzyl-3-(pyridazin-3-ylmethyl)urea

C13H14N4O — CID 106831656

IUPAC1-benzyl-3-(pyridazin-3-ylmethyl)urea
SMILESO=C(NCc1ccccc1)NCc1cccnn1
InChIInChI=1S/C13H14N4O/c18-13(14-9-11-5-2-1-3-6-11)15-10-12-7-4-8-16-17-12/h1-8H,9-10H2,(H2,14,15,18)
InChIKeyNJNSAVUYDIQVJE-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.48
Rot. Bonds4

About 1-benzyl-3-(pyridazin-3-ylmethyl)urea

1-benzyl-3-(pyridazin-3-ylmethyl)urea (PubChem CID 106831656) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-benzyl-3-(pyridazin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(pyridazin-3-ylmethyl)urea
PubChem CID106831656
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name1-benzyl-3-(pyridazin-3-ylmethyl)urea
SMILESO=C(NCc1ccccc1)NCc1cccnn1
InChIInChI=1S/C13H14N4O/c18-13(14-9-11-5-2-1-3-6-11)15-10-12-7-4-8-16-17-12/h1-8H,9-10H2,(H2,14,15,18)
InChIKeyNJNSAVUYDIQVJE-UHFFFAOYSA-N
XLogP1.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(pyridazin-3-ylmethylcarbamoylamino)methyl]benzoic acid
CID 106897201
1-(pyridazin-3-ylmethyl)-3-[(4-trimethylsilylphenyl)methyl]urea
CID 122154804
1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106897054
2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106897218
3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
CID 106897084
2-[(pyridazin-3-ylmethylcarbamoylamino)methyl]butanoic acid
CID 106897275
(2S)-2-(pyridazin-3-ylmethylcarbamoylamino)butanedioic acid
CID 106897236
(2S)-3-methyl-2-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
CID 106897193
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472
3,3,3-trifluoro-2-methyl-2-(pyridazin-3-ylmethylcarbamoylamino)propanoic acid
CID 106897256
3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 106898044
2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide
CID 106894537

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(pyridazin-3-ylmethyl)urea?
The IUPAC name of 1-benzyl-3-(pyridazin-3-ylmethyl)urea (CID 106831656) is 1-benzyl-3-(pyridazin-3-ylmethyl)urea.
What is the SMILES notation for 1-benzyl-3-(pyridazin-3-ylmethyl)urea?
The canonical SMILES for 1-benzyl-3-(pyridazin-3-ylmethyl)urea is O=C(NCc1ccccc1)NCc1cccnn1.
What is the InChIKey of 1-benzyl-3-(pyridazin-3-ylmethyl)urea?
The InChIKey is NJNSAVUYDIQVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c18-13(14-9-11-5-2-1-3-6-11)15-10-12-7-4-8-16-17-12/h1-8H,9-10H2,(H2,14,15,18).
What are the key properties of 1-benzyl-3-(pyridazin-3-ylmethyl)urea?
1-benzyl-3-(pyridazin-3-ylmethyl)urea has a molecular weight of 242.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(pyridazin-3-ylmethyl)urea is sourced from PubChem (CID 106831656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).