3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one

C11H20N4O — CID 62940454

IUPAC3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one
SMILESCCCCN(CCN)c1nccn(C)c1=O
InChIInChI=1S/C11H20N4O/c1-3-4-7-15(8-5-12)10-11(16)14(2)9-6-13-10/h6,9H,3-5,7-8,12H2,1-2H3
InChIKeyGHZVDHYUWPMYES-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.35
Rot. Bonds6

About 3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one

3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one (PubChem CID 62940454) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one
PubChem CID62940454
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one
SMILESCCCCN(CCN)c1nccn(C)c1=O
InChIInChI=1S/C11H20N4O/c1-3-4-7-15(8-5-12)10-11(16)14(2)9-6-13-10/h6,9H,3-5,7-8,12H2,1-2H3
InChIKeyGHZVDHYUWPMYES-UHFFFAOYSA-N
XLogP0.35
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one
CID 63766845
3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one
CID 62928019
3-[2-bromoethyl(butyl)amino]-1-methylpyrazin-2-one
CID 80669412
3-[2-aminoethyl(butyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 62928195
3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one
CID 62922421
6-[2-aminoethyl(butyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 55242367
3-[butyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 62928158
N'-butyl-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine
CID 104733660
3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide
CID 62940592
3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one
CID 62940803
3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide
CID 55172286
1-[2-aminoethyl(butyl)amino]isoquinolin-7-ol
CID 106542281

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one (CID 62940454) is 3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one is CCCCN(CCN)c1nccn(C)c1=O.
What is the InChIKey of 3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one?
The InChIKey is GHZVDHYUWPMYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-4-7-15(8-5-12)10-11(16)14(2)9-6-13-10/h6,9H,3-5,7-8,12H2,1-2H3.
What are the key properties of 3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one?
3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one has a molecular weight of 224.31 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 62940454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).