1-(3-methyl-1-phenylbutyl)-3-pyridazin-3-ylurea

C16H20N4O — CID 126782827

IUPAC1-(3-methyl-1-phenylbutyl)-3-pyridazin-3-ylurea
SMILESCC(C)CC(NC(=O)Nc1cccnn1)c1ccccc1
InChIInChI=1S/C16H20N4O/c1-12(2)11-14(13-7-4-3-5-8-13)18-16(21)19-15-9-6-10-17-20-15/h3-10,12,14H,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyCYKHIICRMITWBK-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.39
Rot. Bonds5

About 1-(3-methyl-1-phenylbutyl)-3-pyridazin-3-ylurea

1-(3-methyl-1-phenylbutyl)-3-pyridazin-3-ylurea (PubChem CID 126782827) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3-methyl-1-phenylbutyl)-3-pyridazin-3-ylurea.

Molecular Properties

Compound Name1-(3-methyl-1-phenylbutyl)-3-pyridazin-3-ylurea
PubChem CID126782827
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-(3-methyl-1-phenylbutyl)-3-pyridazin-3-ylurea
SMILESCC(C)CC(NC(=O)Nc1cccnn1)c1ccccc1
InChIInChI=1S/C16H20N4O/c1-12(2)11-14(13-7-4-3-5-8-13)18-16(21)19-15-9-6-10-17-20-15/h3-10,12,14H,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyCYKHIICRMITWBK-UHFFFAOYSA-N
XLogP3.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methyl-1-(2-methylphenyl)butyl]-3-pyridazin-3-ylurea
CID 126775065
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610
1-(3-methyl-1-phenylbutyl)-3-propylurea
CID 133230839
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
CID 92685488
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea
CID 111450280
4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
CID 79201139
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
N-[4-[(3-methyl-1-phenylbutyl)amino]phenyl]acetamide
CID 43824761
1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea
CID 100747414
2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28958838

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-phenylbutyl)-3-pyridazin-3-ylurea?
The IUPAC name of 1-(3-methyl-1-phenylbutyl)-3-pyridazin-3-ylurea (CID 126782827) is 1-(3-methyl-1-phenylbutyl)-3-pyridazin-3-ylurea.
What is the SMILES notation for 1-(3-methyl-1-phenylbutyl)-3-pyridazin-3-ylurea?
The canonical SMILES for 1-(3-methyl-1-phenylbutyl)-3-pyridazin-3-ylurea is CC(C)CC(NC(=O)Nc1cccnn1)c1ccccc1.
What is the InChIKey of 1-(3-methyl-1-phenylbutyl)-3-pyridazin-3-ylurea?
The InChIKey is CYKHIICRMITWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(2)11-14(13-7-4-3-5-8-13)18-16(21)19-15-9-6-10-17-20-15/h3-10,12,14H,11H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 1-(3-methyl-1-phenylbutyl)-3-pyridazin-3-ylurea?
1-(3-methyl-1-phenylbutyl)-3-pyridazin-3-ylurea has a molecular weight of 284.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-phenylbutyl)-3-pyridazin-3-ylurea is sourced from PubChem (CID 126782827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).