1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea

C15H12F3N5O2 — CID 53204479

IUPAC1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESCOc1cccc2nnc(NC(=O)Nc3ccccc3C(F)(F)F)n12
InChIInChI=1S/C15H12F3N5O2/c1-25-12-8-4-7-11-21-22-13(23(11)12)20-14(24)19-10-6-3-2-5-9(10)15(16,17)18/h2-8H,1H3,(H2,19,20,22,24)
InChIKeyQHUBCXWURZIZHC-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.40
Rot. Bonds3

About 1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea

1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 53204479) has the molecular formula C15H12F3N5O2 and a molecular weight of 351.29 g/mol. Its IUPAC name is 1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID53204479
Molecular FormulaC15H12F3N5O2
Molecular Weight351.29 g/mol
Exact Mass351.09
IUPAC Name1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESCOc1cccc2nnc(NC(=O)Nc3ccccc3C(F)(F)F)n12
InChIInChI=1S/C15H12F3N5O2/c1-25-12-8-4-7-11-21-22-13(23(11)12)20-14(24)19-10-6-3-2-5-9(10)15(16,17)18/h2-8H,1H3,(H2,19,20,22,24)
InChIKeyQHUBCXWURZIZHC-UHFFFAOYSA-N
XLogP3.40
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]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

methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 108785392
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 90509411
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
methyl N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]carbamate
CID 113048941
2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
CID 23512067
1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112971460
1-[(2S)-3-methylbutan-2-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 51944178
1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 35283624
1-(1,5-dimethylpyrazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108813241
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 978007

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea (CID 53204479) is 1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea is COc1cccc2nnc(NC(=O)Nc3ccccc3C(F)(F)F)n12.
What is the InChIKey of 1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is QHUBCXWURZIZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O2/c1-25-12-8-4-7-11-21-22-13(23(11)12)20-14(24)19-10-6-3-2-5-9(10)15(16,17)18/h2-8H,1H3,(H2,19,20,22,24).
What are the key properties of 1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 351.29 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 53204479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).