1-phenyl-1-(2H-triazol-4-yl)urea

C9H9N5O — CID 57237781

IUPAC1-phenyl-1-(2H-triazol-4-yl)urea
SMILESNC(=O)N(c1ccccc1)c1cn[nH]n1
InChIInChI=1S/C9H9N5O/c10-9(15)14(8-6-11-13-12-8)7-4-2-1-3-5-7/h1-6H,(H2,10,15)(H,11,12,13)
InChIKeyQRULXFHKLJMGCY-UHFFFAOYSA-N
MW203.21 g/mol
LogP1.02
Rot. Bonds2

About 1-phenyl-1-(2H-triazol-4-yl)urea

1-phenyl-1-(2H-triazol-4-yl)urea (PubChem CID 57237781) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 1-phenyl-1-(2H-triazol-4-yl)urea.

Molecular Properties

Compound Name1-phenyl-1-(2H-triazol-4-yl)urea
PubChem CID57237781
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name1-phenyl-1-(2H-triazol-4-yl)urea
SMILESNC(=O)N(c1ccccc1)c1cn[nH]n1
InChIInChI=1S/C9H9N5O/c10-9(15)14(8-6-11-13-12-8)7-4-2-1-3-5-7/h1-6H,(H2,10,15)(H,11,12,13)
InChIKeyQRULXFHKLJMGCY-UHFFFAOYSA-N
XLogP1.02
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-1-(2H-triazol-4-yl)urea 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 1-phenyl-1-(2H-triazol-4-yl)urea?
The IUPAC name of 1-phenyl-1-(2H-triazol-4-yl)urea (CID 57237781) is 1-phenyl-1-(2H-triazol-4-yl)urea.
What is the SMILES notation for 1-phenyl-1-(2H-triazol-4-yl)urea?
The canonical SMILES for 1-phenyl-1-(2H-triazol-4-yl)urea is NC(=O)N(c1ccccc1)c1cn[nH]n1.
What is the InChIKey of 1-phenyl-1-(2H-triazol-4-yl)urea?
The InChIKey is QRULXFHKLJMGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-9(15)14(8-6-11-13-12-8)7-4-2-1-3-5-7/h1-6H,(H2,10,15)(H,11,12,13).
What are the key properties of 1-phenyl-1-(2H-triazol-4-yl)urea?
1-phenyl-1-(2H-triazol-4-yl)urea has a molecular weight of 203.21 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(2H-triazol-4-yl)urea is sourced from PubChem (CID 57237781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).