3-methyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine

C6H5F3N6 — CID 123865927

IUPAC3-methyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCn1nnc2c(N)nc(C(F)(F)F)nc21
InChIInChI=1S/C6H5F3N6/c1-15-4-2(13-14-15)3(10)11-5(12-4)6(7,8)9/h1H3,(H2,10,11,12)
InChIKeyYHLBXHOXQSOZLQ-UHFFFAOYSA-N
MW218.14 g/mol
LogP0.36
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine

3-methyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 123865927) has the molecular formula C6H5F3N6 and a molecular weight of 218.14 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID123865927
Molecular FormulaC6H5F3N6
Molecular Weight218.14 g/mol
Exact Mass218.05
IUPAC Name3-methyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCn1nnc2c(N)nc(C(F)(F)F)nc21
InChIInChI=1S/C6H5F3N6/c1-15-4-2(13-14-15)3(10)11-5(12-4)6(7,8)9/h1H3,(H2,10,11,12)
InChIKeyYHLBXHOXQSOZLQ-UHFFFAOYSA-N
XLogP0.36
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-methyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine (CID 123865927) is 3-methyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine is Cn1nnc2c(N)nc(C(F)(F)F)nc21.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is YHLBXHOXQSOZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N6/c1-15-4-2(13-14-15)3(10)11-5(12-4)6(7,8)9/h1H3,(H2,10,11,12).
What are the key properties of 3-methyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
3-methyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 218.14 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 123865927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).