6-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide

C14H10F3N5O3 — CID 71791856

IUPAC6-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1cn2nnc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2c(=O)[nH]1
InChIInChI=1S/C14H10F3N5O3/c1-7-6-22-11(13(24)18-7)10(20-21-22)12(23)19-8-2-4-9(5-3-8)25-14(15,16)17/h2-6H,1H3,(H,18,24)(H,19,23)
InChIKeyNWFWYYRLNVQSBX-UHFFFAOYSA-N
MW353.26 g/mol
LogP1.88
Rot. Bonds3

About 6-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide

6-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 71791856) has the molecular formula C14H10F3N5O3 and a molecular weight of 353.26 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID71791856
Molecular FormulaC14H10F3N5O3
Molecular Weight353.26 g/mol
Exact Mass353.07
IUPAC Name6-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1cn2nnc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2c(=O)[nH]1
InChIInChI=1S/C14H10F3N5O3/c1-7-6-22-11(13(24)18-7)10(20-21-22)12(23)19-8-2-4-9(5-3-8)25-14(15,16)17/h2-6H,1H3,(H,18,24)(H,19,23)
InChIKeyNWFWYYRLNVQSBX-UHFFFAOYSA-N
XLogP1.88
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-2-methyl-2H-pyrazole-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 913152
5-(4-Acetyl-5-methyltriazol-1-yl)-4-bromo-2-[4-(trifluoromethoxy)phenyl]pyridazin-3-one
CID 76317433
N-(3-fluoro-4-methoxyphenyl)-1H-1,2,3-triazole-5-carboxamide
CID 47339147
N-(4-ethoxyphenyl)-6-methyl-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
CID 91891386
N-(2-Cyclohexyl-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 118513278
N-(4-ethoxyphenyl)-1-(2-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 6484730
1-(4-methoxyphenyl)-5-methyl-N-(2-(trifluoromethyl)phenyl)-1H-1,2,3-triazole-4-carboxamide
CID 6493772
dimethyl 1-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
CID 15990542
N-cyclopentyl-1-(4-methoxyphenyl)-5-propyl-1H-1,2,3-triazole-4-carboxamide
CID 17015496
2-{3-methyl-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 25284273
1-methyl-N-(4-phenoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
CID 45497230
N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2H-triazole-4-carboxamide
CID 71994056

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide (CID 71791856) is 6-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide is Cc1cn2nnc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2c(=O)[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is NWFWYYRLNVQSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O3/c1-7-6-22-11(13(24)18-7)10(20-21-22)12(23)19-8-2-4-9(5-3-8)25-14(15,16)17/h2-6H,1H3,(H,18,24)(H,19,23).
What are the key properties of 6-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
6-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 353.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 71791856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).