1-(2-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea

C10H10FN5O — CID 54880213

IUPAC1-(2-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea
SMILESO=C(NCc1ncn[nH]1)Nc1ccccc1F
InChIInChI=1S/C10H10FN5O/c11-7-3-1-2-4-8(7)15-10(17)12-5-9-13-6-14-16-9/h1-4,6H,5H2,(H2,12,15,17)(H,13,14,16)
InChIKeyJUXBSVXSSZVCNM-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.27
Rot. Bonds3

About 1-(2-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea

1-(2-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea (PubChem CID 54880213) has the molecular formula C10H10FN5O and a molecular weight of 235.22 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea
PubChem CID54880213
Molecular FormulaC10H10FN5O
Molecular Weight235.22 g/mol
Exact Mass235.09
IUPAC Name1-(2-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea
SMILESO=C(NCc1ncn[nH]1)Nc1ccccc1F
InChIInChI=1S/C10H10FN5O/c11-7-3-1-2-4-8(7)15-10(17)12-5-9-13-6-14-16-9/h1-4,6H,5H2,(H2,12,15,17)(H,13,14,16)
InChIKeyJUXBSVXSSZVCNM-UHFFFAOYSA-N
XLogP1.27
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea?
The IUPAC name of 1-(2-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea (CID 54880213) is 1-(2-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea is O=C(NCc1ncn[nH]1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea?
The InChIKey is JUXBSVXSSZVCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O/c11-7-3-1-2-4-8(7)15-10(17)12-5-9-13-6-14-16-9/h1-4,6H,5H2,(H2,12,15,17)(H,13,14,16).
What are the key properties of 1-(2-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea?
1-(2-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea has a molecular weight of 235.22 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea is sourced from PubChem (CID 54880213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).