3-[(4-chlorophenyl)-(tetrazol-1-yl)methyl]-1,1-dimethylurea

C11H13ClN6O — CID 155525603

IUPAC3-[(4-chlorophenyl)-(tetrazol-1-yl)methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NC(c1ccc(Cl)cc1)n1cnnn1
InChIInChI=1S/C11H13ClN6O/c1-17(2)11(19)14-10(18-7-13-15-16-18)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,14,19)
InChIKeyGLTYMOGDAKEDLI-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.14
Rot. Bonds3

About 3-[(4-chlorophenyl)-(tetrazol-1-yl)methyl]-1,1-dimethylurea

3-[(4-chlorophenyl)-(tetrazol-1-yl)methyl]-1,1-dimethylurea (PubChem CID 155525603) has the molecular formula C11H13ClN6O and a molecular weight of 280.72 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-(tetrazol-1-yl)methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-(tetrazol-1-yl)methyl]-1,1-dimethylurea
PubChem CID155525603
Molecular FormulaC11H13ClN6O
Molecular Weight280.72 g/mol
Exact Mass280.08
IUPAC Name3-[(4-chlorophenyl)-(tetrazol-1-yl)methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NC(c1ccc(Cl)cc1)n1cnnn1
InChIInChI=1S/C11H13ClN6O/c1-17(2)11(19)14-10(18-7-13-15-16-18)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,14,19)
InChIKeyGLTYMOGDAKEDLI-UHFFFAOYSA-N
XLogP1.14
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(4-chlorophenyl)-(tetrazol-1-yl)methyl]-1,1-dimethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-(tetrazol-1-yl)methyl]-1,1-dimethylurea?
The IUPAC name of 3-[(4-chlorophenyl)-(tetrazol-1-yl)methyl]-1,1-dimethylurea (CID 155525603) is 3-[(4-chlorophenyl)-(tetrazol-1-yl)methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(4-chlorophenyl)-(tetrazol-1-yl)methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(4-chlorophenyl)-(tetrazol-1-yl)methyl]-1,1-dimethylurea is CN(C)C(=O)NC(c1ccc(Cl)cc1)n1cnnn1.
What is the InChIKey of 3-[(4-chlorophenyl)-(tetrazol-1-yl)methyl]-1,1-dimethylurea?
The InChIKey is GLTYMOGDAKEDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O/c1-17(2)11(19)14-10(18-7-13-15-16-18)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,14,19).
What are the key properties of 3-[(4-chlorophenyl)-(tetrazol-1-yl)methyl]-1,1-dimethylurea?
3-[(4-chlorophenyl)-(tetrazol-1-yl)methyl]-1,1-dimethylurea has a molecular weight of 280.72 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-(tetrazol-1-yl)methyl]-1,1-dimethylurea is sourced from PubChem (CID 155525603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).