1-(3-fluorophenyl)-3-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea

C17H12FN5O2 — CID 155556190

IUPAC1-(3-fluorophenyl)-3-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccc2nc(-c3ccoc3)nn2c1
InChIInChI=1S/C17H12FN5O2/c18-12-2-1-3-13(8-12)19-17(24)20-14-4-5-15-21-16(22-23(15)9-14)11-6-7-25-10-11/h1-10H,(H2,19,20,24)
InChIKeyNEWRHGKIPHXFIW-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.77
Rot. Bonds3

About 1-(3-fluorophenyl)-3-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea

1-(3-fluorophenyl)-3-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea (PubChem CID 155556190) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
PubChem CID155556190
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC Name1-(3-fluorophenyl)-3-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccc2nc(-c3ccoc3)nn2c1
InChIInChI=1S/C17H12FN5O2/c18-12-2-1-3-13(8-12)19-17(24)20-14-4-5-15-21-16(22-23(15)9-14)11-6-7-25-10-11/h1-10H,(H2,19,20,24)
InChIKeyNEWRHGKIPHXFIW-UHFFFAOYSA-N
XLogP3.77
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea (CID 155556190) is 1-(3-fluorophenyl)-3-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea is O=C(Nc1cccc(F)c1)Nc1ccc2nc(-c3ccoc3)nn2c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The InChIKey is NEWRHGKIPHXFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c18-12-2-1-3-13(8-12)19-17(24)20-14-4-5-15-21-16(22-23(15)9-14)11-6-7-25-10-11/h1-10H,(H2,19,20,24).
What are the key properties of 1-(3-fluorophenyl)-3-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
1-(3-fluorophenyl)-3-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea has a molecular weight of 337.31 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea is sourced from PubChem (CID 155556190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).