2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C8H10N4O2 — CID 66271552

IUPAC2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCCO)nc2cnccn12
InChIInChI=1S/C8H10N4O2/c13-5-1-3-12-8(14)11-4-2-9-6-7(11)10-12/h2,4,6,13H,1,3,5H2
InChIKeyKKILBFZFNIYXJW-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.73
Rot. Bonds3

About 2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271552) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271552
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCCO)nc2cnccn12
InChIInChI=1S/C8H10N4O2/c13-5-1-3-12-8(14)11-4-2-9-6-7(11)10-12/h2,4,6,13H,1,3,5H2
InChIKeyKKILBFZFNIYXJW-UHFFFAOYSA-N
XLogP-0.73
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271552) is 2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(CCCO)nc2cnccn12.
What is the InChIKey of 2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is KKILBFZFNIYXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c13-5-1-3-12-8(14)11-4-2-9-6-7(11)10-12/h2,4,6,13H,1,3,5H2.
What are the key properties of 2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 194.19 g/mol, XLogP of -0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).