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

C8H14N4O — CID 66728864

IUPAC2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol
SMILESCC(C)(O)c1nnc2n1CCNC2
InChIInChI=1S/C8H14N4O/c1-8(2,13)7-11-10-6-5-9-3-4-12(6)7/h9,13H,3-5H2,1-2H3
InChIKeyVXBXQNXIHIDTHB-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.39
Rot. Bonds1

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

2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol (PubChem CID 66728864) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol
PubChem CID66728864
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol
SMILESCC(C)(O)c1nnc2n1CCNC2
InChIInChI=1S/C8H14N4O/c1-8(2,13)7-11-10-6-5-9-3-4-12(6)7/h9,13H,3-5H2,1-2H3
InChIKeyVXBXQNXIHIDTHB-UHFFFAOYSA-N
XLogP-0.39
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 ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-ethyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 45088313
3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 52911275
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
3-tert-butyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 59539714
(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
(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol
CID 45122042
1-(methylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
CID 64575716

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol?
The IUPAC name of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol (CID 66728864) is 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol.
What is the SMILES notation for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol?
The canonical SMILES for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol is CC(C)(O)c1nnc2n1CCNC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol?
The InChIKey is VXBXQNXIHIDTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-8(2,13)7-11-10-6-5-9-3-4-12(6)7/h9,13H,3-5H2,1-2H3.
What are the key properties of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol?
2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol has a molecular weight of 182.23 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol is sourced from PubChem (CID 66728864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).