2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C14H11F3N6O2 — CID 25284271

IUPAC2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCn1nnc2c(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)cnc21
InChIInChI=1S/C14H11F3N6O2/c1-22-12-11(20-21-22)13(25)23(7-18-12)6-10(24)19-9-5-3-2-4-8(9)14(15,16)17/h2-5,7H,6H2,1H3,(H,19,24)
InChIKeyBBLGQXLEODPDAV-UHFFFAOYSA-N
MW352.28 g/mol
LogP1.18
Rot. Bonds3

About 2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 25284271) has the molecular formula C14H11F3N6O2 and a molecular weight of 352.28 g/mol. Its IUPAC name is 2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID25284271
Molecular FormulaC14H11F3N6O2
Molecular Weight352.28 g/mol
Exact Mass352.09
IUPAC Name2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCn1nnc2c(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)cnc21
InChIInChI=1S/C14H11F3N6O2/c1-22-12-11(20-21-22)13(25)23(7-18-12)6-10(24)19-9-5-3-2-4-8(9)14(15,16)17/h2-5,7H,6H2,1H3,(H,19,24)
InChIKeyBBLGQXLEODPDAV-UHFFFAOYSA-N
XLogP1.18
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 25284279
N-(4-acetamidophenyl)-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 25284277
N-[(2-chlorophenyl)methyl]-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 25284282
2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55733182
2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 46396599
N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869541
3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 4870595
2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43936078
2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(2-fluorophenyl)acetamide
CID 7111072
N-(2-fluorophenyl)-2-[7-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 45030066
2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide
CID 20869414
N-(2,4-difluorophenyl)-2-[3-[(2-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869467

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 25284271) is 2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is Cn1nnc2c(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)cnc21.
What is the InChIKey of 2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BBLGQXLEODPDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6O2/c1-22-12-11(20-21-22)13(25)23(7-18-12)6-10(24)19-9-5-3-2-4-8(9)14(15,16)17/h2-5,7H,6H2,1H3,(H,19,24).
What are the key properties of 2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 352.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 25284271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).