4-methyl-N-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide

C14H11F3N6O — CID 66499397

IUPAC4-methyl-N-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2nnc3nc(C(F)(F)F)nn3c2C)cc1
InChIInChI=1S/C14H11F3N6O/c1-7-3-5-9(6-4-7)18-11(24)10-8(2)23-13(21-20-10)19-12(22-23)14(15,16)17/h3-6H,1-2H3,(H,18,24)
InChIKeyQJMAKAZOJSNUSB-UHFFFAOYSA-N
MW336.28 g/mol
LogP2.41
Rot. Bonds2

About 4-methyl-N-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide

4-methyl-N-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 66499397) has the molecular formula C14H11F3N6O and a molecular weight of 336.28 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID66499397
Molecular FormulaC14H11F3N6O
Molecular Weight336.28 g/mol
Exact Mass336.09
IUPAC Name4-methyl-N-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2nnc3nc(C(F)(F)F)nn3c2C)cc1
InChIInChI=1S/C14H11F3N6O/c1-7-3-5-9(6-4-7)18-11(24)10-8(2)23-13(21-20-10)19-12(22-23)14(15,16)17/h3-6H,1-2H3,(H,18,24)
InChIKeyQJMAKAZOJSNUSB-UHFFFAOYSA-N
XLogP2.41
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 66499397) is 4-methyl-N-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide is Cc1ccc(NC(=O)c2nnc3nc(C(F)(F)F)nn3c2C)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is QJMAKAZOJSNUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6O/c1-7-3-5-9(6-4-7)18-11(24)10-8(2)23-13(21-20-10)19-12(22-23)14(15,16)17/h3-6H,1-2H3,(H,18,24).
What are the key properties of 4-methyl-N-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide?
4-methyl-N-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 336.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 66499397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).