1-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea

C14H12FN5O — CID 53204464

IUPAC1-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2nnc3ccccn23)cc1F
InChIInChI=1S/C14H12FN5O/c1-9-5-6-10(8-11(9)15)16-14(21)17-13-19-18-12-4-2-3-7-20(12)13/h2-8H,1H3,(H2,16,17,19,21)
InChIKeyCQZWNEVEAVWJEY-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.82
Rot. Bonds2

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

1-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea (PubChem CID 53204464) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
PubChem CID53204464
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2nnc3ccccn23)cc1F
InChIInChI=1S/C14H12FN5O/c1-9-5-6-10(8-11(9)15)16-14(21)17-13-19-18-12-4-2-3-7-20(12)13/h2-8H,1H3,(H2,16,17,19,21)
InChIKeyCQZWNEVEAVWJEY-UHFFFAOYSA-N
XLogP2.82
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 53204450
5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 38961107
1-(3-fluoro-4-methylphenyl)-3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)urea
CID 121090060
1-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 51290333
1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea
CID 971209
1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839665
ethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate
CID 110471107
1-(3-fluoro-4-methylphenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 51290805
3-anilino-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 167871287
1-(3,4-dimethylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 50847541
5-propan-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 155912764
N-(3-fluoro-4-methylphenyl)-2,2-diphenylacetamide
CID 676006

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea (CID 53204464) is 1-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea is Cc1ccc(NC(=O)Nc2nnc3ccccn23)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The InChIKey is CQZWNEVEAVWJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c1-9-5-6-10(8-11(9)15)16-14(21)17-13-19-18-12-4-2-3-7-20(12)13/h2-8H,1H3,(H2,16,17,19,21).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
1-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea has a molecular weight of 285.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea is sourced from PubChem (CID 53204464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).