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

C11H16N4O2 — CID 75506584

IUPAC2-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)OCCCn1nc2cnccn2c1=O
InChIInChI=1S/C11H16N4O2/c1-9(2)17-7-3-5-15-11(16)14-6-4-12-8-10(14)13-15/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyQJEHGLYEMLBMPC-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.71
Rot. Bonds5

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

2-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 75506584) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID75506584
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name2-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)OCCCn1nc2cnccn2c1=O
InChIInChI=1S/C11H16N4O2/c1-9(2)17-7-3-5-15-11(16)14-6-4-12-8-10(14)13-15/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyQJEHGLYEMLBMPC-UHFFFAOYSA-N
XLogP0.71
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 75506584) is 2-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC(C)OCCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is QJEHGLYEMLBMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-9(2)17-7-3-5-15-11(16)14-6-4-12-8-10(14)13-15/h4,6,8-9H,3,5,7H2,1-2H3.
What are the key properties of 2-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 236.28 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 75506584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).