1-(2-amino-3,3-dimethylbutyl)pyrazin-2-one

C10H17N3O — CID 130538507

IUPAC1-(2-amino-3,3-dimethylbutyl)pyrazin-2-one
SMILESCC(C)(C)C(N)Cn1ccncc1=O
InChIInChI=1S/C10H17N3O/c1-10(2,3)8(11)7-13-5-4-12-6-9(13)14/h4-6,8H,7,11H2,1-3H3
InChIKeyODHWHBDZURAIBR-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.62
Rot. Bonds2

About 1-(2-amino-3,3-dimethylbutyl)pyrazin-2-one

1-(2-amino-3,3-dimethylbutyl)pyrazin-2-one (PubChem CID 130538507) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(2-amino-3,3-dimethylbutyl)pyrazin-2-one.

Molecular Properties

Compound Name1-(2-amino-3,3-dimethylbutyl)pyrazin-2-one
PubChem CID130538507
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(2-amino-3,3-dimethylbutyl)pyrazin-2-one
SMILESCC(C)(C)C(N)Cn1ccncc1=O
InChIInChI=1S/C10H17N3O/c1-10(2,3)8(11)7-13-5-4-12-6-9(13)14/h4-6,8H,7,11H2,1-3H3
InChIKeyODHWHBDZURAIBR-UHFFFAOYSA-N
XLogP0.62
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(Ethylamino)-3,3-dimethylbutyl]-4-methylpyrazine-2,3-dione
CID 55155857
1-[3,3-Dimethyl-2-(methylamino)butyl]-4-methylpyrazine-2,3-dione
CID 62927690
1-[3,3-Dimethyl-2-(propylamino)butyl]-4-methylpyrazine-2,3-dione
CID 62928388
1-(2-Amino-3,3-dimethylbutyl)-4-methylpyrazine-2,3-dione
CID 62928731
1-[2-(5-Methylhexan-2-ylamino)ethyl]pyrazin-2-one
CID 112753756
1-(3,3-Dimethylbutyl)pyrazin-2-one
CID 130538394
1-(2-Aminopropyl)pyrazin-2-one
CID 130538500
1-[(2R)-2-aminopropyl]pyrazin-2-one
CID 130538502
1-(2-Aminobutyl)pyrazin-2-one
CID 130538504
1-(2-Amino-3-methylbutyl)pyrazin-2-one
CID 130538505
1-(1-Aminobutan-2-yl)pyrazin-2-one
CID 172415431
1-(3-Aminobutan-2-yl)pyrazin-2-one
CID 172415432

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,3-dimethylbutyl)pyrazin-2-one?
The IUPAC name of 1-(2-amino-3,3-dimethylbutyl)pyrazin-2-one (CID 130538507) is 1-(2-amino-3,3-dimethylbutyl)pyrazin-2-one.
What is the SMILES notation for 1-(2-amino-3,3-dimethylbutyl)pyrazin-2-one?
The canonical SMILES for 1-(2-amino-3,3-dimethylbutyl)pyrazin-2-one is CC(C)(C)C(N)Cn1ccncc1=O.
What is the InChIKey of 1-(2-amino-3,3-dimethylbutyl)pyrazin-2-one?
The InChIKey is ODHWHBDZURAIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2,3)8(11)7-13-5-4-12-6-9(13)14/h4-6,8H,7,11H2,1-3H3.
What are the key properties of 1-(2-amino-3,3-dimethylbutyl)pyrazin-2-one?
1-(2-amino-3,3-dimethylbutyl)pyrazin-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,3-dimethylbutyl)pyrazin-2-one is sourced from PubChem (CID 130538507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).