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

C11H16F3N5O — CID 66237340

IUPAC4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-3-amine
SMILESNC1COCC1CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)10-17-16-9-4-18(1-2-19(9)10)3-7-5-20-6-8(7)15/h7-8H,1-6,15H2
InChIKeyRCICOQOTZSMPBX-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.09
Rot. Bonds2

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

4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-3-amine (PubChem CID 66237340) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-3-amine
PubChem CID66237340
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-3-amine
SMILESNC1COCC1CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)10-17-16-9-4-18(1-2-19(9)10)3-7-5-20-6-8(7)15/h7-8H,1-6,15H2
InChIKeyRCICOQOTZSMPBX-UHFFFAOYSA-N
XLogP0.09
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 ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-3-amine?
The IUPAC name of 4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-3-amine (CID 66237340) is 4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-3-amine is NC1COCC1CN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-3-amine?
The InChIKey is RCICOQOTZSMPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c12-11(13,14)10-17-16-9-4-18(1-2-19(9)10)3-7-5-20-6-8(7)15/h7-8H,1-6,15H2.
What are the key properties of 4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-3-amine?
4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-3-amine has a molecular weight of 291.28 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 66237340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).