3-[[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine

C16H17F3N8O — CID 52938509

IUPAC3-[[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(C(F)(F)F)nc2c1nnn2C[C@H]1CN(Cc2ccccn2)CCO1
InChIInChI=1S/C16H17F3N8O/c17-16(18,19)15-22-13(20)12-14(23-15)27(25-24-12)9-11-8-26(5-6-28-11)7-10-3-1-2-4-21-10/h1-4,11H,5-9H2,(H2,20,22,23)/t11-/m1/s1
InChIKeyHVYALEXLNWKGCT-LLVKDONJSA-N
MW394.36 g/mol
LogP1.12
Rot. Bonds4

About 3-[[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine

3-[[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 52938509) has the molecular formula C16H17F3N8O and a molecular weight of 394.36 g/mol. Its IUPAC name is 3-[[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID52938509
Molecular FormulaC16H17F3N8O
Molecular Weight394.36 g/mol
Exact Mass394.15
IUPAC Name3-[[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(C(F)(F)F)nc2c1nnn2C[C@H]1CN(Cc2ccccn2)CCO1
InChIInChI=1S/C16H17F3N8O/c17-16(18,19)15-22-13(20)12-14(23-15)27(25-24-12)9-11-8-26(5-6-28-11)7-10-3-1-2-4-21-10/h1-4,11H,5-9H2,(H2,20,22,23)/t11-/m1/s1
InChIKeyHVYALEXLNWKGCT-LLVKDONJSA-N
XLogP1.12
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]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-[[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-[[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine (CID 52938509) is 3-[[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-[[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-[[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine is Nc1nc(C(F)(F)F)nc2c1nnn2C[C@H]1CN(Cc2ccccn2)CCO1.
What is the InChIKey of 3-[[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is HVYALEXLNWKGCT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17F3N8O/c17-16(18,19)15-22-13(20)12-14(23-15)27(25-24-12)9-11-8-26(5-6-28-11)7-10-3-1-2-4-21-10/h1-4,11H,5-9H2,(H2,20,22,23)/t11-/m1/s1.
What are the key properties of 3-[[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
3-[[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 394.36 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 52938509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).