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

C10H12N4O2 — CID 66272624

IUPAC2-(2-cyclopropyl-2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CC(O)C2CC2)nc2cnccn12
InChIInChI=1S/C10H12N4O2/c15-8(7-1-2-7)6-14-10(16)13-4-3-11-5-9(13)12-14/h3-5,7-8,15H,1-2,6H2
InChIKeyKOELJJGALRAFJE-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.34
Rot. Bonds3

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

2-(2-cyclopropyl-2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66272624) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(2-cyclopropyl-2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(2-cyclopropyl-2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66272624
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-(2-cyclopropyl-2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CC(O)C2CC2)nc2cnccn12
InChIInChI=1S/C10H12N4O2/c15-8(7-1-2-7)6-14-10(16)13-4-3-11-5-9(13)12-14/h3-5,7-8,15H,1-2,6H2
InChIKeyKOELJJGALRAFJE-UHFFFAOYSA-N
XLogP-0.34
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(2-cyclopropyl-2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66272624) is 2-(2-cyclopropyl-2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(2-cyclopropyl-2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(2-cyclopropyl-2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(CC(O)C2CC2)nc2cnccn12.
What is the InChIKey of 2-(2-cyclopropyl-2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is KOELJJGALRAFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c15-8(7-1-2-7)6-14-10(16)13-4-3-11-5-9(13)12-14/h3-5,7-8,15H,1-2,6H2.
What are the key properties of 2-(2-cyclopropyl-2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(2-cyclopropyl-2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 220.23 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66272624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).