[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]oxolan-3-yl]methanamine

C11H16F3N5O — CID 64575323

IUPAC[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]oxolan-3-yl]methanamine
SMILESNCC1(N2CCn3c(nnc3C(F)(F)F)C2)CCOC1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)9-17-16-8-5-18(2-3-19(8)9)10(6-15)1-4-20-7-10/h1-7,15H2
InChIKeyFQBNRYFPPAQECG-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.23
Rot. Bonds2

About [3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]oxolan-3-yl]methanamine

[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]oxolan-3-yl]methanamine (PubChem CID 64575323) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is [3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]oxolan-3-yl]methanamine
PubChem CID64575323
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]oxolan-3-yl]methanamine
SMILESNCC1(N2CCn3c(nnc3C(F)(F)F)C2)CCOC1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)9-17-16-8-5-18(2-3-19(8)9)10(6-15)1-4-20-7-10/h1-7,15H2
InChIKeyFQBNRYFPPAQECG-UHFFFAOYSA-N
XLogP0.23
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]oxolan-3-yl]methanamine?
The IUPAC name of [3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]oxolan-3-yl]methanamine (CID 64575323) is [3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]oxolan-3-yl]methanamine.
What is the SMILES notation for [3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]oxolan-3-yl]methanamine?
The canonical SMILES for [3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]oxolan-3-yl]methanamine is NCC1(N2CCn3c(nnc3C(F)(F)F)C2)CCOC1.
What is the InChIKey of [3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]oxolan-3-yl]methanamine?
The InChIKey is FQBNRYFPPAQECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c12-11(13,14)9-17-16-8-5-18(2-3-19(8)9)10(6-15)1-4-20-7-10/h1-7,15H2.
What are the key properties of [3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]oxolan-3-yl]methanamine?
[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]oxolan-3-yl]methanamine has a molecular weight of 291.28 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]oxolan-3-yl]methanamine is sourced from PubChem (CID 64575323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).