1-(pyridazin-3-ylmethyl)-3-[(4-trimethylsilylphenyl)methyl]urea

C16H22N4OSi — CID 122154804

IUPAC1-(pyridazin-3-ylmethyl)-3-[(4-trimethylsilylphenyl)methyl]urea
SMILESC[Si](C)(C)c1ccc(CNC(=O)NCc2cccnn2)cc1
InChIInChI=1S/C16H22N4OSi/c1-22(2,3)15-8-6-13(7-9-15)11-17-16(21)18-12-14-5-4-10-19-20-14/h4-10H,11-12H2,1-3H3,(H2,17,18,21)
InChIKeyRMLDSMWTRKCPCV-UHFFFAOYSA-N
MW314.47 g/mol
LogP2.02
Rot. Bonds5

About 1-(pyridazin-3-ylmethyl)-3-[(4-trimethylsilylphenyl)methyl]urea

1-(pyridazin-3-ylmethyl)-3-[(4-trimethylsilylphenyl)methyl]urea (PubChem CID 122154804) has the molecular formula C16H22N4OSi and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-(pyridazin-3-ylmethyl)-3-[(4-trimethylsilylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(pyridazin-3-ylmethyl)-3-[(4-trimethylsilylphenyl)methyl]urea
PubChem CID122154804
Molecular FormulaC16H22N4OSi
Molecular Weight314.47 g/mol
Exact Mass314.16
IUPAC Name1-(pyridazin-3-ylmethyl)-3-[(4-trimethylsilylphenyl)methyl]urea
SMILESC[Si](C)(C)c1ccc(CNC(=O)NCc2cccnn2)cc1
InChIInChI=1S/C16H22N4OSi/c1-22(2,3)15-8-6-13(7-9-15)11-17-16(21)18-12-14-5-4-10-19-20-14/h4-10H,11-12H2,1-3H3,(H2,17,18,21)
InChIKeyRMLDSMWTRKCPCV-UHFFFAOYSA-N
XLogP2.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-(pyridazin-3-ylmethyl)urea
CID 106831656
3-[(pyridazin-3-ylmethylcarbamoylamino)methyl]benzoic acid
CID 106897201
1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106897054
2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106897218
2-[(pyridazin-3-ylmethylcarbamoylamino)methyl]butanoic acid
CID 106897275
3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
CID 106897084
4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide
CID 106894633
(2S)-3-methyl-2-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
CID 106897193
1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea
CID 154863683
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472
2-chloro-N-(pyridazin-3-ylmethyl)propanamide
CID 106895464
2-(ethylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896183

Frequently Asked Questions

What is the IUPAC name of 1-(pyridazin-3-ylmethyl)-3-[(4-trimethylsilylphenyl)methyl]urea?
The IUPAC name of 1-(pyridazin-3-ylmethyl)-3-[(4-trimethylsilylphenyl)methyl]urea (CID 122154804) is 1-(pyridazin-3-ylmethyl)-3-[(4-trimethylsilylphenyl)methyl]urea.
What is the SMILES notation for 1-(pyridazin-3-ylmethyl)-3-[(4-trimethylsilylphenyl)methyl]urea?
The canonical SMILES for 1-(pyridazin-3-ylmethyl)-3-[(4-trimethylsilylphenyl)methyl]urea is C[Si](C)(C)c1ccc(CNC(=O)NCc2cccnn2)cc1.
What is the InChIKey of 1-(pyridazin-3-ylmethyl)-3-[(4-trimethylsilylphenyl)methyl]urea?
The InChIKey is RMLDSMWTRKCPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OSi/c1-22(2,3)15-8-6-13(7-9-15)11-17-16(21)18-12-14-5-4-10-19-20-14/h4-10H,11-12H2,1-3H3,(H2,17,18,21).
What are the key properties of 1-(pyridazin-3-ylmethyl)-3-[(4-trimethylsilylphenyl)methyl]urea?
1-(pyridazin-3-ylmethyl)-3-[(4-trimethylsilylphenyl)methyl]urea has a molecular weight of 314.47 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridazin-3-ylmethyl)-3-[(4-trimethylsilylphenyl)methyl]urea is sourced from PubChem (CID 122154804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).