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

C11H18F3N5O — CID 64575905

IUPAC1-(ethylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
SMILESCCNCC(O)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H18F3N5O/c1-2-15-5-8(20)6-18-3-4-19-9(7-18)16-17-10(19)11(12,13)14/h8,15,20H,2-7H2,1H3
InChIKeyMWDAFEWIKGCRJF-UHFFFAOYSA-N
MW293.29 g/mol
LogP0.08
Rot. Bonds5

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

1-(ethylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol (PubChem CID 64575905) has the molecular formula C11H18F3N5O and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-(ethylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
PubChem CID64575905
Molecular FormulaC11H18F3N5O
Molecular Weight293.29 g/mol
Exact Mass293.15
IUPAC Name1-(ethylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
SMILESCCNCC(O)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H18F3N5O/c1-2-15-5-8(20)6-18-3-4-19-9(7-18)16-17-10(19)11(12,13)14/h8,15,20H,2-7H2,1H3
InChIKeyMWDAFEWIKGCRJF-UHFFFAOYSA-N
XLogP0.08
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}propan-2-ol
CID 66728864
[3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]methanol
CID 90425593
5-Methoxy-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 118136391
5-Methoxy-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 118136394
(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]propan-2-ol
CID 153311225
(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]propan-2-ol;dihydrochloride
CID 153311268
1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]propan-2-ol;dihydrochloride
CID 155173320
1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]propan-2-ol
CID 155173321
1,1,1-Trifluoro-2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol;dihydrochloride
CID 155173322
(2R)-1-sulfanyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
CID 156507034
1-sulfanyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
CID 156507036
(3-(Trifluoromethyl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-6-yl)methanamine
CID 163294674

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-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-(ethylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol (CID 64575905) is 1-(ethylamino)-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-(ethylamino)-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-(ethylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol is CCNCC(O)CN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 1-(ethylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol?
The InChIKey is MWDAFEWIKGCRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5O/c1-2-15-5-8(20)6-18-3-4-19-9(7-18)16-17-10(19)11(12,13)14/h8,15,20H,2-7H2,1H3.
What are the key properties of 1-(ethylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol?
1-(ethylamino)-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 293.29 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-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 64575905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).