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

C10H11F3N6O — CID 70695146

IUPAC3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(C(F)(F)F)nc2c1nnn2C[C@H]1CCCO1
InChIInChI=1S/C10H11F3N6O/c11-10(12,13)9-15-7(14)6-8(16-9)19(18-17-6)4-5-2-1-3-20-5/h5H,1-4H2,(H2,14,15,16)/t5-/m1/s1
InChIKeyWWHVIZAECPKYSE-RXMQYKEDSA-N
MW288.23 g/mol
LogP1.00
Rot. Bonds2

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

3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 70695146) has the molecular formula C10H11F3N6O and a molecular weight of 288.23 g/mol. Its IUPAC name is 3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID70695146
Molecular FormulaC10H11F3N6O
Molecular Weight288.23 g/mol
Exact Mass288.09
IUPAC Name3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(C(F)(F)F)nc2c1nnn2C[C@H]1CCCO1
InChIInChI=1S/C10H11F3N6O/c11-10(12,13)9-15-7(14)6-8(16-9)19(18-17-6)4-5-2-1-3-20-5/h5H,1-4H2,(H2,14,15,16)/t5-/m1/s1
InChIKeyWWHVIZAECPKYSE-RXMQYKEDSA-N
XLogP1.00
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine (CID 70695146) is 3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine is Nc1nc(C(F)(F)F)nc2c1nnn2C[C@H]1CCCO1.
What is the InChIKey of 3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is WWHVIZAECPKYSE-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H11F3N6O/c11-10(12,13)9-15-7(14)6-8(16-9)19(18-17-6)4-5-2-1-3-20-5/h5H,1-4H2,(H2,14,15,16)/t5-/m1/s1.
What are the key properties of 3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 288.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 70695146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).