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

C9H14F3N5O — CID 64575903

IUPAC1-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
SMILESNCC(O)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C9H14F3N5O/c10-9(11,12)8-15-14-7-5-16(1-2-17(7)8)4-6(18)3-13/h6,18H,1-5,13H2
InChIKeyWFMWYYKCGRHLCZ-UHFFFAOYSA-N
MW265.24 g/mol
LogP-0.57
Rot. Bonds3

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

1-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol (PubChem CID 64575903) has the molecular formula C9H14F3N5O and a molecular weight of 265.24 g/mol. Its IUPAC name is 1-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
PubChem CID64575903
Molecular FormulaC9H14F3N5O
Molecular Weight265.24 g/mol
Exact Mass265.12
IUPAC Name1-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
SMILESNCC(O)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C9H14F3N5O/c10-9(11,12)8-15-14-7-5-16(1-2-17(7)8)4-6(18)3-13/h6,18H,1-5,13H2
InChIKeyWFMWYYKCGRHLCZ-UHFFFAOYSA-N
XLogP-0.57
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol?
The IUPAC name of 1-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol (CID 64575903) is 1-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol.
What is the SMILES notation for 1-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol?
The canonical SMILES for 1-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol is NCC(O)CN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 1-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol?
The InChIKey is WFMWYYKCGRHLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O/c10-9(11,12)8-15-14-7-5-16(1-2-17(7)8)4-6(18)3-13/h6,18H,1-5,13H2.
What are the key properties of 1-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol?
1-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol has a molecular weight of 265.24 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol is sourced from PubChem (CID 64575903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).