1-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanol

C8H14N4O — CID 163741364

IUPAC1-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanol
SMILESCC(O)c1nnc2n1C(C)CNC2
InChIInChI=1S/C8H14N4O/c1-5-3-9-4-7-10-11-8(6(2)13)12(5)7/h5-6,9,13H,3-4H2,1-2H3
InChIKeyLIAPCPWRCGVMMZ-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.00
Rot. Bonds1

About 1-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanol

1-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanol (PubChem CID 163741364) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanol
PubChem CID163741364
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanol
SMILESCC(O)c1nnc2n1C(C)CNC2
InChIInChI=1S/C8H14N4O/c1-5-3-9-4-7-10-11-8(6(2)13)12(5)7/h5-6,9,13H,3-4H2,1-2H3
InChIKeyLIAPCPWRCGVMMZ-UHFFFAOYSA-N
XLogP-0.00
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanol with MolForge

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Related Compounds

5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol dihydrochloride
CID 54595923
3-(methoxymethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 57416366
(1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine
CID 96850208
2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}propan-2-ol
CID 66728864
1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine
CID 110210749
[3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]methanol
CID 90425593
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

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanol?
The IUPAC name of 1-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanol (CID 163741364) is 1-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanol.
What is the SMILES notation for 1-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanol?
The canonical SMILES for 1-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanol is CC(O)c1nnc2n1C(C)CNC2.
What is the InChIKey of 1-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanol?
The InChIKey is LIAPCPWRCGVMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5-3-9-4-7-10-11-8(6(2)13)12(5)7/h5-6,9,13H,3-4H2,1-2H3.
What are the key properties of 1-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanol?
1-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanol has a molecular weight of 182.23 g/mol, XLogP of -0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanol is sourced from PubChem (CID 163741364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).