2-[(5-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C11H14N4O2 — CID 167919807

IUPAC2-[(5-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC1CCC(Cn2nc3cnccn3c2=O)O1
InChIInChI=1S/C11H14N4O2/c1-8-2-3-9(17-8)7-15-11(16)14-5-4-12-6-10(14)13-15/h4-6,8-9H,2-3,7H2,1H3
InChIKeyDSTDSNBMHDCYFC-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.46
Rot. Bonds2

About 2-[(5-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[(5-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 167919807) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-[(5-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[(5-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID167919807
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-[(5-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC1CCC(Cn2nc3cnccn3c2=O)O1
InChIInChI=1S/C11H14N4O2/c1-8-2-3-9(17-8)7-15-11(16)14-5-4-12-6-10(14)13-15/h4-6,8-9H,2-3,7H2,1H3
InChIKeyDSTDSNBMHDCYFC-UHFFFAOYSA-N
XLogP0.46
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[(5-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 167919807) is 2-[(5-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[(5-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[(5-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC1CCC(Cn2nc3cnccn3c2=O)O1.
What is the InChIKey of 2-[(5-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is DSTDSNBMHDCYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-8-2-3-9(17-8)7-15-11(16)14-5-4-12-6-10(14)13-15/h4-6,8-9H,2-3,7H2,1H3.
What are the key properties of 2-[(5-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[(5-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 234.26 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 167919807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).