5-[2-(methylamino)ethyl]-1-propan-2-ylpyrazin-2-one

C10H17N3O — CID 147412993

IUPAC5-[2-(methylamino)ethyl]-1-propan-2-ylpyrazin-2-one
SMILESCNCCc1cn(C(C)C)c(=O)cn1
InChIInChI=1S/C10H17N3O/c1-8(2)13-7-9(4-5-11-3)12-6-10(13)14/h6-8,11H,4-5H2,1-3H3
InChIKeyDQYVQWJFQQSPRZ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.59
Rot. Bonds4

About 5-[2-(methylamino)ethyl]-1-propan-2-ylpyrazin-2-one

5-[2-(methylamino)ethyl]-1-propan-2-ylpyrazin-2-one (PubChem CID 147412993) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-[2-(methylamino)ethyl]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name5-[2-(methylamino)ethyl]-1-propan-2-ylpyrazin-2-one
PubChem CID147412993
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-[2-(methylamino)ethyl]-1-propan-2-ylpyrazin-2-one
SMILESCNCCc1cn(C(C)C)c(=O)cn1
InChIInChI=1S/C10H17N3O/c1-8(2)13-7-9(4-5-11-3)12-6-10(13)14/h6-8,11H,4-5H2,1-3H3
InChIKeyDQYVQWJFQQSPRZ-UHFFFAOYSA-N
XLogP0.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Ethylpyrazin-2-OL
CID 19775264
5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-1H-pyrazin-2-one
CID 169086445
2(1H)-Pyrazinone, 6-ethyl-
CID 19737130
5-(2-aminoethyl)-1H-pyrazin-2-one
CID 67418746
3-[(E)-2-[4-[acetyl(methyl)amino]butan-2-ylamino]prop-1-enyl]imino-N-methylpropanamide
CID 90245596
1,6-Di(propan-2-yl)pyrazin-2-one
CID 122696610
6-Ethyl-1-propan-2-ylpyrazin-2-one
CID 130251242
N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide
CID 130253197
N-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide
CID 142959970
acetylene;N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide
CID 142959973
ethane;6-ethyl-1H-pyrazin-2-one
CID 143669024
ethane;5-propan-2-yl-1H-pyrazin-2-one
CID 144497149

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethyl]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 5-[2-(methylamino)ethyl]-1-propan-2-ylpyrazin-2-one (CID 147412993) is 5-[2-(methylamino)ethyl]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 5-[2-(methylamino)ethyl]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 5-[2-(methylamino)ethyl]-1-propan-2-ylpyrazin-2-one is CNCCc1cn(C(C)C)c(=O)cn1.
What is the InChIKey of 5-[2-(methylamino)ethyl]-1-propan-2-ylpyrazin-2-one?
The InChIKey is DQYVQWJFQQSPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)13-7-9(4-5-11-3)12-6-10(13)14/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 5-[2-(methylamino)ethyl]-1-propan-2-ylpyrazin-2-one?
5-[2-(methylamino)ethyl]-1-propan-2-ylpyrazin-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethyl]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 147412993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).