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

C15H14FN5O — CID 53014344

IUPAC1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3-fluorophenyl)urea
SMILESCCc1nnc2ccc(NC(=O)Nc3cccc(F)c3)cn12
InChIInChI=1S/C15H14FN5O/c1-2-13-19-20-14-7-6-12(9-21(13)14)18-15(22)17-11-5-3-4-10(16)8-11/h3-9H,2H2,1H3,(H2,17,18,22)
InChIKeyBTIRIKYNGXGJED-UHFFFAOYSA-N
MW299.31 g/mol
LogP3.07
Rot. Bonds3

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

1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3-fluorophenyl)urea (PubChem CID 53014344) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3-fluorophenyl)urea
PubChem CID53014344
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3-fluorophenyl)urea
SMILESCCc1nnc2ccc(NC(=O)Nc3cccc(F)c3)cn12
InChIInChI=1S/C15H14FN5O/c1-2-13-19-20-14-7-6-12(9-21(13)14)18-15(22)17-11-5-3-4-10(16)8-11/h3-9H,2H2,1H3,(H2,17,18,22)
InChIKeyBTIRIKYNGXGJED-UHFFFAOYSA-N
XLogP3.07
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
CID 53014308
3-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53157931
1-(3-amino-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 54910981
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea
CID 43836137
N-(4-ethylphenyl)-N'-(3-fluorophenyl)propanediamide
CID 108954059
2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide
CID 772260
1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea
CID 81290117
1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea
CID 146121634
1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 51102214
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea
CID 894122

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3-fluorophenyl)urea (CID 53014344) is 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3-fluorophenyl)urea is CCc1nnc2ccc(NC(=O)Nc3cccc(F)c3)cn12.
What is the InChIKey of 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3-fluorophenyl)urea?
The InChIKey is BTIRIKYNGXGJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-2-13-19-20-14-7-6-12(9-21(13)14)18-15(22)17-11-5-3-4-10(16)8-11/h3-9H,2H2,1H3,(H2,17,18,22).
What are the key properties of 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3-fluorophenyl)urea?
1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3-fluorophenyl)urea has a molecular weight of 299.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3-fluorophenyl)urea is sourced from PubChem (CID 53014344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).