2-[2-[2-(diethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C13H22N6O — CID 66272417

IUPAC2-[2-[2-(diethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCN(CC)CCNCCn1nc2cnccn2c1=O
InChIInChI=1S/C13H22N6O/c1-3-17(4-2)8-5-14-7-10-19-13(20)18-9-6-15-11-12(18)16-19/h6,9,11,14H,3-5,7-8,10H2,1-2H3
InChIKeyNTZQLXOPVVXHHP-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.18
Rot. Bonds8

About 2-[2-[2-(diethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[2-[2-(diethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66272417) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[2-[2-(diethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-[2-(diethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66272417
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name2-[2-[2-(diethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCN(CC)CCNCCn1nc2cnccn2c1=O
InChIInChI=1S/C13H22N6O/c1-3-17(4-2)8-5-14-7-10-19-13(20)18-9-6-15-11-12(18)16-19/h6,9,11,14H,3-5,7-8,10H2,1-2H3
InChIKeyNTZQLXOPVVXHHP-UHFFFAOYSA-N
XLogP-0.18
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[2-(diethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-[2-(diethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66272417) is 2-[2-[2-(diethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-[2-(diethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-[2-(diethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCN(CC)CCNCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-[2-[2-(diethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is NTZQLXOPVVXHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-3-17(4-2)8-5-14-7-10-19-13(20)18-9-6-15-11-12(18)16-19/h6,9,11,14H,3-5,7-8,10H2,1-2H3.
What are the key properties of 2-[2-[2-(diethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-[2-(diethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 278.36 g/mol, XLogP of -0.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(diethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66272417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).