1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide

C16H14F3N7O — CID 90557517

IUPAC1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide
SMILESCn1nnc2c(N3CC(C(=O)Nc4cccc(C(F)(F)F)c4)C3)ncnc21
InChIInChI=1S/C16H14F3N7O/c1-25-13-12(23-24-25)14(21-8-20-13)26-6-9(7-26)15(27)22-11-4-2-3-10(5-11)16(17,18)19/h2-5,8-9H,6-7H2,1H3,(H,22,27)
InChIKeyUQMYFLLFLXYPTI-UHFFFAOYSA-N
MW377.33 g/mol
LogP1.85
Rot. Bonds3

About 1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide

1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide (PubChem CID 90557517) has the molecular formula C16H14F3N7O and a molecular weight of 377.33 g/mol. Its IUPAC name is 1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide
PubChem CID90557517
Molecular FormulaC16H14F3N7O
Molecular Weight377.33 g/mol
Exact Mass377.12
IUPAC Name1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide
SMILESCn1nnc2c(N3CC(C(=O)Nc4cccc(C(F)(F)F)c4)C3)ncnc21
InChIInChI=1S/C16H14F3N7O/c1-25-13-12(23-24-25)14(21-8-20-13)26-6-9(7-26)15(27)22-11-4-2-3-10(5-11)16(17,18)19/h2-5,8-9H,6-7H2,1H3,(H,22,27)
InChIKeyUQMYFLLFLXYPTI-UHFFFAOYSA-N
XLogP1.85
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide 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

N-(3-acetamidophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557525
N-(3-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557519
N-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557548
N-(4-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557520
N-(3-acetamidophenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557737
3-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]triazolo[4,5-d]pyrimidine
CID 7192825
N-(5-chloro-2-methylphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557560
1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 110860841
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557606
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide
CID 90604451
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide?
The IUPAC name of 1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide (CID 90557517) is 1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide?
The canonical SMILES for 1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide is Cn1nnc2c(N3CC(C(=O)Nc4cccc(C(F)(F)F)c4)C3)ncnc21.
What is the InChIKey of 1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide?
The InChIKey is UQMYFLLFLXYPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N7O/c1-25-13-12(23-24-25)14(21-8-20-13)26-6-9(7-26)15(27)22-11-4-2-3-10(5-11)16(17,18)19/h2-5,8-9H,6-7H2,1H3,(H,22,27).
What are the key properties of 1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide?
1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide has a molecular weight of 377.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide is sourced from PubChem (CID 90557517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).