1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea

C13H10FN5O — CID 53014308

IUPAC1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccc2nncn2c1
InChIInChI=1S/C13H10FN5O/c14-9-2-1-3-10(6-9)16-13(20)17-11-4-5-12-18-15-8-19(12)7-11/h1-8H,(H2,16,17,20)
InChIKeyGWKRSQHTBKVLSH-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.51
Rot. Bonds2

About 1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea

1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea (PubChem CID 53014308) has the molecular formula C13H10FN5O and a molecular weight of 271.25 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
PubChem CID53014308
Molecular FormulaC13H10FN5O
Molecular Weight271.25 g/mol
Exact Mass271.09
IUPAC Name1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccc2nncn2c1
InChIInChI=1S/C13H10FN5O/c14-9-2-1-3-10(6-9)16-13(20)17-11-4-5-12-18-15-8-19(12)7-11/h1-8H,(H2,16,17,20)
InChIKeyGWKRSQHTBKVLSH-UHFFFAOYSA-N
XLogP2.51
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-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

Related Compounds

1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3-fluorophenyl)urea
CID 53014344
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea
CID 43836137
1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea
CID 146121634
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
1-(3-amino-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 54910981
1-(3-fluorophenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 121089870
1-(3-fluorophenyl)-3-(thiadiazol-5-yl)urea
CID 11195761
1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea
CID 4189707
N-[3-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53173201
1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 51102214
1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea
CID 894122

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea (CID 53014308) is 1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea is O=C(Nc1cccc(F)c1)Nc1ccc2nncn2c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
The InChIKey is GWKRSQHTBKVLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O/c14-9-2-1-3-10(6-9)16-13(20)17-11-4-5-12-18-15-8-19(12)7-11/h1-8H,(H2,16,17,20).
What are the key properties of 1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea has a molecular weight of 271.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea is sourced from PubChem (CID 53014308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).