5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol

C6H10N4O — CID 45122042

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol
SMILESOCc1nnc2n1CCNC2
InChIInChI=1S/C6H10N4O/c11-4-6-9-8-5-3-7-1-2-10(5)6/h7,11H,1-4H2
InChIKeyCDGXEUWHBCAHIJ-UHFFFAOYSA-N
MW154.17 g/mol
LogP-1.13
Rot. Bonds1

About 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol (PubChem CID 45122042) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol
PubChem CID45122042
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol
SMILESOCc1nnc2n1CCNC2
InChIInChI=1S/C6H10N4O/c11-4-6-9-8-5-3-7-1-2-10(5)6/h7,11H,1-4H2
InChIKeyCDGXEUWHBCAHIJ-UHFFFAOYSA-N
XLogP-1.13
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol?
The IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol (CID 45122042) is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol is OCc1nnc2n1CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol?
The InChIKey is CDGXEUWHBCAHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c11-4-6-9-8-5-3-7-1-2-10(5)6/h7,11H,1-4H2.
What are the key properties of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol?
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol has a molecular weight of 154.17 g/mol, XLogP of -1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol is sourced from PubChem (CID 45122042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).