1,2,3,6-tetrahydropyrazin-3-ol

C4H8N2O — CID 91127667

IUPAC1,2,3,6-tetrahydropyrazin-3-ol
SMILESOC1CNCC=N1
InChIInChI=1S/C4H8N2O/c7-4-3-5-1-2-6-4/h2,4-5,7H,1,3H2
InChIKeyYMABRCNXSPSDHX-UHFFFAOYSA-N
MW100.12 g/mol
LogP-1.02
Rot. Bonds

About 1,2,3,6-tetrahydropyrazin-3-ol

1,2,3,6-tetrahydropyrazin-3-ol (PubChem CID 91127667) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyrazin-3-ol.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyrazin-3-ol
PubChem CID91127667
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name1,2,3,6-tetrahydropyrazin-3-ol
SMILESOC1CNCC=N1
InChIInChI=1S/C4H8N2O/c7-4-3-5-1-2-6-4/h2,4-5,7H,1,3H2
InChIKeyYMABRCNXSPSDHX-UHFFFAOYSA-N
XLogP-1.02
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyrazin-3-ol?
The IUPAC name of 1,2,3,6-tetrahydropyrazin-3-ol (CID 91127667) is 1,2,3,6-tetrahydropyrazin-3-ol.
What is the SMILES notation for 1,2,3,6-tetrahydropyrazin-3-ol?
The canonical SMILES for 1,2,3,6-tetrahydropyrazin-3-ol is OC1CNCC=N1.
What is the InChIKey of 1,2,3,6-tetrahydropyrazin-3-ol?
The InChIKey is YMABRCNXSPSDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c7-4-3-5-1-2-6-4/h2,4-5,7H,1,3H2.
What are the key properties of 1,2,3,6-tetrahydropyrazin-3-ol?
1,2,3,6-tetrahydropyrazin-3-ol has a molecular weight of 100.12 g/mol, XLogP of -1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyrazin-3-ol is sourced from PubChem (CID 91127667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).