2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C11H17N5O2 — CID 66271744

IUPAC2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCOC(CN)CCn1nc2cnccn2c1=O
InChIInChI=1S/C11H17N5O2/c1-2-18-9(7-12)3-5-16-11(17)15-6-4-13-8-10(15)14-16/h4,6,8-9H,2-3,5,7,12H2,1H3
InChIKeyWDDXAMRVKLDPSU-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.36
Rot. Bonds6

About 2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271744) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271744
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCOC(CN)CCn1nc2cnccn2c1=O
InChIInChI=1S/C11H17N5O2/c1-2-18-9(7-12)3-5-16-11(17)15-6-4-13-8-10(15)14-16/h4,6,8-9H,2-3,5,7,12H2,1H3
InChIKeyWDDXAMRVKLDPSU-UHFFFAOYSA-N
XLogP-0.36
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(Oxiran-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271543
2-(4-Amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 63071041
2-[2-(2-Ethoxyethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271136
2-[2-(4-Ethoxybutylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271561
2-[2-(3-Propan-2-yloxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271991
2-[2-(3-Ethoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272419
2-[3-(2-Methoxyethylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272611
2-(Morpholin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272616
2-[2-(2-Butoxyethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273273
2-[2-(3-Methoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273487
2-[4-(2-Methoxyethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273902
2-(3-Amino-2-ethoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66274086

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271744) is 2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCOC(CN)CCn1nc2cnccn2c1=O.
What is the InChIKey of 2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is WDDXAMRVKLDPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-2-18-9(7-12)3-5-16-11(17)15-6-4-13-8-10(15)14-16/h4,6,8-9H,2-3,5,7,12H2,1H3.
What are the key properties of 2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 251.29 g/mol, XLogP of -0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).