7-ethyl-3-(propan-2-yloxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C11H18N4O2 — CID 157019961

IUPAC7-ethyl-3-(propan-2-yloxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCN1CCn2c(COC(C)C)nnc2C1=O
InChIInChI=1S/C11H18N4O2/c1-4-14-5-6-15-9(7-17-8(2)3)12-13-10(15)11(14)16/h8H,4-7H2,1-3H3
InChIKeyRBAPHNSUFVOHJT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.68
Rot. Bonds4

About 7-ethyl-3-(propan-2-yloxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one

7-ethyl-3-(propan-2-yloxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 157019961) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 7-ethyl-3-(propan-2-yloxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-ethyl-3-(propan-2-yloxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID157019961
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name7-ethyl-3-(propan-2-yloxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCN1CCn2c(COC(C)C)nnc2C1=O
InChIInChI=1S/C11H18N4O2/c1-4-14-5-6-15-9(7-17-8(2)3)12-13-10(15)11(14)16/h8H,4-7H2,1-3H3
InChIKeyRBAPHNSUFVOHJT-UHFFFAOYSA-N
XLogP0.68
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-(propan-2-yloxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-ethyl-3-(propan-2-yloxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 157019961) is 7-ethyl-3-(propan-2-yloxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-ethyl-3-(propan-2-yloxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-ethyl-3-(propan-2-yloxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CCN1CCn2c(COC(C)C)nnc2C1=O.
What is the InChIKey of 7-ethyl-3-(propan-2-yloxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is RBAPHNSUFVOHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-14-5-6-15-9(7-17-8(2)3)12-13-10(15)11(14)16/h8H,4-7H2,1-3H3.
What are the key properties of 7-ethyl-3-(propan-2-yloxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-ethyl-3-(propan-2-yloxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 238.29 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-(propan-2-yloxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 157019961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).