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

C11H18N6O — CID 66271134

IUPAC2-[2-[2-(dimethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCN(C)CCNCCn1nc2cnccn2c1=O
InChIInChI=1S/C11H18N6O/c1-15(2)6-3-12-5-8-17-11(18)16-7-4-13-9-10(16)14-17/h4,7,9,12H,3,5-6,8H2,1-2H3
InChIKeyYKOBSRDZJCEULX-UHFFFAOYSA-N
MW250.31 g/mol
LogP-0.96
Rot. Bonds6

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

2-[2-[2-(dimethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271134) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271134
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name2-[2-[2-(dimethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCN(C)CCNCCn1nc2cnccn2c1=O
InChIInChI=1S/C11H18N6O/c1-15(2)6-3-12-5-8-17-11(18)16-7-4-13-9-10(16)14-17/h4,7,9,12H,3,5-6,8H2,1-2H3
InChIKeyYKOBSRDZJCEULX-UHFFFAOYSA-N
XLogP-0.96
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-0.96
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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Related Compounds

2-[2-(2,2,2-Trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273482
2-[4-(Methylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271110
2-[5-(Propylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271111
2-[5-(Ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271112
2-[4-(Propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271113
2-[3-(Methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271114
2-[2-(Methylamino)butyl][1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
CID 66271115
2-[2-(2-Ethoxyethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271136
2-[2-(Propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271323
2-[2-(3-Methylbutylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271344
2-[4-(Ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271347
2-[4-(2-Methylpropylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271348

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-[2-(dimethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271134) is 2-[2-[2-(dimethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CN(C)CCNCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is YKOBSRDZJCEULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-15(2)6-3-12-5-8-17-11(18)16-7-4-13-9-10(16)14-17/h4,7,9,12H,3,5-6,8H2,1-2H3.
What are the key properties of 2-[2-[2-(dimethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-[2-(dimethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 250.31 g/mol, XLogP of -0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).