3-(ethylamino)-1-propan-2-ylpyrazin-2-one

C9H15N3O — CID 62938422

IUPAC3-(ethylamino)-1-propan-2-ylpyrazin-2-one
SMILESCCNc1nccn(C(C)C)c1=O
InChIInChI=1S/C9H15N3O/c1-4-10-8-9(13)12(7(2)3)6-5-11-8/h5-7H,4H2,1-3H3,(H,10,11)
InChIKeyISAZIUCCOFGHIX-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.26
Rot. Bonds3

About 3-(ethylamino)-1-propan-2-ylpyrazin-2-one

3-(ethylamino)-1-propan-2-ylpyrazin-2-one (PubChem CID 62938422) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(ethylamino)-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-propan-2-ylpyrazin-2-one
PubChem CID62938422
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(ethylamino)-1-propan-2-ylpyrazin-2-one
SMILESCCNc1nccn(C(C)C)c1=O
InChIInChI=1S/C9H15N3O/c1-4-10-8-9(13)12(7(2)3)6-5-11-8/h5-7H,4H2,1-3H3,(H,10,11)
InChIKeyISAZIUCCOFGHIX-UHFFFAOYSA-N
XLogP1.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-3-(propylamino)pyrazin-2-one
CID 53015093
3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one
CID 114174313
3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 106013481
N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 62939676
N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide
CID 106337676
3-[(4-chloro-2,2-dimethylbutyl)amino]-1-propan-2-ylpyrazin-2-one
CID 106141809
3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 62928664
2,2-dimethyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanamide
CID 106277774
3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 62939874
3-methyl-4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid
CID 81065935
3-(2-piperidin-1-ylethylamino)-1-propan-2-ylpyrazin-2-one
CID 55156035
3-[(2-chloro-3-methoxypropyl)amino]-1-propan-2-ylpyrazin-2-one
CID 65027172

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-(ethylamino)-1-propan-2-ylpyrazin-2-one (CID 62938422) is 3-(ethylamino)-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-(ethylamino)-1-propan-2-ylpyrazin-2-one is CCNc1nccn(C(C)C)c1=O.
What is the InChIKey of 3-(ethylamino)-1-propan-2-ylpyrazin-2-one?
The InChIKey is ISAZIUCCOFGHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-10-8-9(13)12(7(2)3)6-5-11-8/h5-7H,4H2,1-3H3,(H,10,11).
What are the key properties of 3-(ethylamino)-1-propan-2-ylpyrazin-2-one?
3-(ethylamino)-1-propan-2-ylpyrazin-2-one has a molecular weight of 181.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 62938422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).