3-[[butyl(ethyl)amino]methyl]-1H-pyrazin-2-one

C11H19N3O — CID 142816357

IUPAC3-[[butyl(ethyl)amino]methyl]-1H-pyrazin-2-one
SMILESCCCCN(CC)Cc1ncc[nH]c1=O
InChIInChI=1S/C11H19N3O/c1-3-5-8-14(4-2)9-10-11(15)13-7-6-12-10/h6-7H,3-5,8-9H2,1-2H3,(H,13,15)
InChIKeyLDATYQUQXWWJTP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.39
Rot. Bonds6

About 3-[[butyl(ethyl)amino]methyl]-1H-pyrazin-2-one

3-[[butyl(ethyl)amino]methyl]-1H-pyrazin-2-one (PubChem CID 142816357) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[[butyl(ethyl)amino]methyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[[butyl(ethyl)amino]methyl]-1H-pyrazin-2-one
PubChem CID142816357
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[[butyl(ethyl)amino]methyl]-1H-pyrazin-2-one
SMILESCCCCN(CC)Cc1ncc[nH]c1=O
InChIInChI=1S/C11H19N3O/c1-3-5-8-14(4-2)9-10-11(15)13-7-6-12-10/h6-7H,3-5,8-9H2,1-2H3,(H,13,15)
InChIKeyLDATYQUQXWWJTP-UHFFFAOYSA-N
XLogP1.39
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(ethyl)amino]methyl]-1H-pyrazin-2-one?
The IUPAC name of 3-[[butyl(ethyl)amino]methyl]-1H-pyrazin-2-one (CID 142816357) is 3-[[butyl(ethyl)amino]methyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[[butyl(ethyl)amino]methyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[[butyl(ethyl)amino]methyl]-1H-pyrazin-2-one is CCCCN(CC)Cc1ncc[nH]c1=O.
What is the InChIKey of 3-[[butyl(ethyl)amino]methyl]-1H-pyrazin-2-one?
The InChIKey is LDATYQUQXWWJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-5-8-14(4-2)9-10-11(15)13-7-6-12-10/h6-7H,3-5,8-9H2,1-2H3,(H,13,15).
What are the key properties of 3-[[butyl(ethyl)amino]methyl]-1H-pyrazin-2-one?
3-[[butyl(ethyl)amino]methyl]-1H-pyrazin-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(ethyl)amino]methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 142816357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).