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

C11H18F3N5O — CID 64819804

IUPAC1-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol
SMILESCC(O)(CN)CCN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H18F3N5O/c1-10(20,7-15)2-3-18-4-5-19-8(6-18)16-17-9(19)11(12,13)14/h20H,2-7,15H2,1H3
InChIKeyHFLLSWGTHLJPBI-UHFFFAOYSA-N
MW293.29 g/mol
LogP0.21
Rot. Bonds4

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

1-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol (PubChem CID 64819804) has the molecular formula C11H18F3N5O and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol
PubChem CID64819804
Molecular FormulaC11H18F3N5O
Molecular Weight293.29 g/mol
Exact Mass293.15
IUPAC Name1-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol
SMILESCC(O)(CN)CCN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H18F3N5O/c1-10(20,7-15)2-3-18-4-5-19-8(6-18)16-17-9(19)11(12,13)14/h20H,2-7,15H2,1H3
InChIKeyHFLLSWGTHLJPBI-UHFFFAOYSA-N
XLogP0.21
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol (CID 64819804) is 1-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol is CC(O)(CN)CCN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 1-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol?
The InChIKey is HFLLSWGTHLJPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5O/c1-10(20,7-15)2-3-18-4-5-19-8(6-18)16-17-9(19)11(12,13)14/h20H,2-7,15H2,1H3.
What are the key properties of 1-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol?
1-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol has a molecular weight of 293.29 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol is sourced from PubChem (CID 64819804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).