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

C11H17N5O — CID 66274308

IUPAC2-[3-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCNC(C)CCn1nc2cnccn2c1=O
InChIInChI=1S/C11H17N5O/c1-3-13-9(2)4-6-16-11(17)15-7-5-12-8-10(15)14-16/h5,7-9,13H,3-4,6H2,1-2H3
InChIKeyUFMTYLSHDGIHFY-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.28
Rot. Bonds5

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

2-[3-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66274308) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[3-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[3-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66274308
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[3-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCNC(C)CCn1nc2cnccn2c1=O
InChIInChI=1S/C11H17N5O/c1-3-13-9(2)4-6-16-11(17)15-7-5-12-8-10(15)14-16/h5,7-9,13H,3-4,6H2,1-2H3
InChIKeyUFMTYLSHDGIHFY-UHFFFAOYSA-N
XLogP0.28
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271113
2-[2-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272397
2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271539
2-(4-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 106802579
2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273453
2-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 75506584
2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 103934851
methyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate
CID 66273457
2-[2-(propylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271749
2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271542
2-(4-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271761
2-(4-chlorobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272395

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[3-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66274308) is 2-[3-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[3-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[3-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCNC(C)CCn1nc2cnccn2c1=O.
What is the InChIKey of 2-[3-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is UFMTYLSHDGIHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-3-13-9(2)4-6-16-11(17)15-7-5-12-8-10(15)14-16/h5,7-9,13H,3-4,6H2,1-2H3.
What are the key properties of 2-[3-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[3-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 235.29 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66274308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).