1-phenyl-1-(triazol-1-yl)urea

C9H9N5O — CID 23325971

IUPAC1-phenyl-1-(triazol-1-yl)urea
SMILESNC(=O)N(c1ccccc1)n1ccnn1
InChIInChI=1S/C9H9N5O/c10-9(15)14(13-7-6-11-12-13)8-4-2-1-3-5-8/h1-7H,(H2,10,15)
InChIKeyXFKKMCAYZKKAMN-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.63
Rot. Bonds2

About 1-phenyl-1-(triazol-1-yl)urea

1-phenyl-1-(triazol-1-yl)urea (PubChem CID 23325971) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 1-phenyl-1-(triazol-1-yl)urea.

Molecular Properties

Compound Name1-phenyl-1-(triazol-1-yl)urea
PubChem CID23325971
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name1-phenyl-1-(triazol-1-yl)urea
SMILESNC(=O)N(c1ccccc1)n1ccnn1
InChIInChI=1S/C9H9N5O/c10-9(15)14(13-7-6-11-12-13)8-4-2-1-3-5-8/h1-7H,(H2,10,15)
InChIKeyXFKKMCAYZKKAMN-UHFFFAOYSA-N
XLogP0.63
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

carboxy(triazol-1-yl)carbamic acid
CID 67445650
2-[acetyl(triazol-1-yl)amino]pyridine-3-carboxamide
CID 91105345
1,1-diphenylurea
CID 174849888
1-phenyl-1-(1H-triazin-2-yl)urea
CID 67443765
1-phenyl-1-(4-phenylphenyl)urea
CID 90698606
1-indol-1-yl-1-pyridin-4-ylurea
CID 174592326
1-(N-carbamoylanilino)indole-2-carboxylic acid
CID 67622156
butane;1,1-diphenylurea
CID 70397101
1-methylsulfonyl-1-phenylurea
CID 67458693
1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)-1-phenylurea
CID 91046069
N-(3-aminopropyl)-N-benzyl-2-(triazol-1-yl)acetamide
CID 107366214
1-methyl-1-(N-methylanilino)urea
CID 154254582

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(triazol-1-yl)urea?
The IUPAC name of 1-phenyl-1-(triazol-1-yl)urea (CID 23325971) is 1-phenyl-1-(triazol-1-yl)urea.
What is the SMILES notation for 1-phenyl-1-(triazol-1-yl)urea?
The canonical SMILES for 1-phenyl-1-(triazol-1-yl)urea is NC(=O)N(c1ccccc1)n1ccnn1.
What is the InChIKey of 1-phenyl-1-(triazol-1-yl)urea?
The InChIKey is XFKKMCAYZKKAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-9(15)14(13-7-6-11-12-13)8-4-2-1-3-5-8/h1-7H,(H2,10,15).
What are the key properties of 1-phenyl-1-(triazol-1-yl)urea?
1-phenyl-1-(triazol-1-yl)urea has a molecular weight of 203.21 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(triazol-1-yl)urea is sourced from PubChem (CID 23325971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).