2-(3-ethoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C10H18N4O2 — CID 66271704

IUPAC2-(3-ethoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCOCCCn1nc2n(c1=O)CCNC2
InChIInChI=1S/C10H18N4O2/c1-2-16-7-3-5-14-10(15)13-6-4-11-8-9(13)12-14/h11H,2-8H2,1H3
InChIKeySBWMGFYWMBDOIM-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.43
Rot. Bonds5

About 2-(3-ethoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(3-ethoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271704) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271704
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-(3-ethoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCOCCCn1nc2n(c1=O)CCNC2
InChIInChI=1S/C10H18N4O2/c1-2-16-7-3-5-14-10(15)13-6-4-11-8-9(13)12-14/h11H,2-8H2,1H3
InChIKeySBWMGFYWMBDOIM-UHFFFAOYSA-N
XLogP-0.43
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
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-ethoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(3-ethoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271704) is 2-(3-ethoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(3-ethoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(3-ethoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCOCCCn1nc2n(c1=O)CCNC2.
What is the InChIKey of 2-(3-ethoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is SBWMGFYWMBDOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-2-16-7-3-5-14-10(15)13-6-4-11-8-9(13)12-14/h11H,2-8H2,1H3.
What are the key properties of 2-(3-ethoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(3-ethoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 226.28 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).