3-hydroxytriazolo[4,5-b]pyrazine

C4H3N5O — CID 69177004

IUPAC3-hydroxytriazolo[4,5-b]pyrazine
SMILESOn1nnc2nccnc21
InChIInChI=1S/C4H3N5O/c10-9-4-3(7-8-9)5-1-2-6-4/h1-2,10H
InChIKeyKYSFVEXPTGQRPP-UHFFFAOYSA-N
MW137.10 g/mol
LogP-0.54
Rot. Bonds

About 3-hydroxytriazolo[4,5-b]pyrazine

3-hydroxytriazolo[4,5-b]pyrazine (PubChem CID 69177004) has the molecular formula C4H3N5O and a molecular weight of 137.10 g/mol. Its IUPAC name is 3-hydroxytriazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name3-hydroxytriazolo[4,5-b]pyrazine
PubChem CID69177004
Molecular FormulaC4H3N5O
Molecular Weight137.10 g/mol
Exact Mass137.03
IUPAC Name3-hydroxytriazolo[4,5-b]pyrazine
SMILESOn1nnc2nccnc21
InChIInChI=1S/C4H3N5O/c10-9-4-3(7-8-9)5-1-2-6-4/h1-2,10H
InChIKeyKYSFVEXPTGQRPP-UHFFFAOYSA-N
XLogP-0.54
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxytriazolo[4,5-b]pyrazine?
The IUPAC name of 3-hydroxytriazolo[4,5-b]pyrazine (CID 69177004) is 3-hydroxytriazolo[4,5-b]pyrazine.
What is the SMILES notation for 3-hydroxytriazolo[4,5-b]pyrazine?
The canonical SMILES for 3-hydroxytriazolo[4,5-b]pyrazine is On1nnc2nccnc21.
What is the InChIKey of 3-hydroxytriazolo[4,5-b]pyrazine?
The InChIKey is KYSFVEXPTGQRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N5O/c10-9-4-3(7-8-9)5-1-2-6-4/h1-2,10H.
What are the key properties of 3-hydroxytriazolo[4,5-b]pyrazine?
3-hydroxytriazolo[4,5-b]pyrazine has a molecular weight of 137.10 g/mol, XLogP of -0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxytriazolo[4,5-b]pyrazine is sourced from PubChem (CID 69177004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).