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

C11H20N4O2 — CID 66273410

IUPAC2-(2-butoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCCCOCCn1nc2n(c1=O)CCNC2
InChIInChI=1S/C11H20N4O2/c1-2-3-7-17-8-6-15-11(16)14-5-4-12-9-10(14)13-15/h12H,2-9H2,1H3
InChIKeyWKSJVJWZWOTLMH-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.04
Rot. Bonds6

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

2-(2-butoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66273410) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(2-butoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(2-butoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66273410
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-(2-butoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCCCOCCn1nc2n(c1=O)CCNC2
InChIInChI=1S/C11H20N4O2/c1-2-3-7-17-8-6-15-11(16)14-5-4-12-9-10(14)13-15/h12H,2-9H2,1H3
InChIKeyWKSJVJWZWOTLMH-UHFFFAOYSA-N
XLogP-0.04
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.04
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-(2-butoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(2-butoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66273410) is 2-(2-butoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(2-butoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(2-butoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCCCOCCn1nc2n(c1=O)CCNC2.
What is the InChIKey of 2-(2-butoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is WKSJVJWZWOTLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-3-7-17-8-6-15-11(16)14-5-4-12-9-10(14)13-15/h12H,2-9H2,1H3.
What are the key properties of 2-(2-butoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(2-butoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 240.31 g/mol, XLogP of -0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66273410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).