1-(2-amino-3,3-dimethylbutyl)-4-methylpyrazine-2,3-dione

C11H19N3O2 — CID 62928731

IUPAC1-(2-amino-3,3-dimethylbutyl)-4-methylpyrazine-2,3-dione
SMILESCn1ccn(CC(N)C(C)(C)C)c(=O)c1=O
InChIInChI=1S/C11H19N3O2/c1-11(2,3)8(12)7-14-6-5-13(4)9(15)10(14)16/h5-6,8H,7,12H2,1-4H3
InChIKeyUETZNHQTQWPXKA-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.08
Rot. Bonds2

About 1-(2-amino-3,3-dimethylbutyl)-4-methylpyrazine-2,3-dione

1-(2-amino-3,3-dimethylbutyl)-4-methylpyrazine-2,3-dione (PubChem CID 62928731) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2-amino-3,3-dimethylbutyl)-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-(2-amino-3,3-dimethylbutyl)-4-methylpyrazine-2,3-dione
PubChem CID62928731
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(2-amino-3,3-dimethylbutyl)-4-methylpyrazine-2,3-dione
SMILESCn1ccn(CC(N)C(C)(C)C)c(=O)c1=O
InChIInChI=1S/C11H19N3O2/c1-11(2,3)8(12)7-14-6-5-13(4)9(15)10(14)16/h5-6,8H,7,12H2,1-4H3
InChIKeyUETZNHQTQWPXKA-UHFFFAOYSA-N
XLogP-0.08
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,3-dimethylbutyl)-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-(2-amino-3,3-dimethylbutyl)-4-methylpyrazine-2,3-dione (CID 62928731) is 1-(2-amino-3,3-dimethylbutyl)-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-(2-amino-3,3-dimethylbutyl)-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-(2-amino-3,3-dimethylbutyl)-4-methylpyrazine-2,3-dione is Cn1ccn(CC(N)C(C)(C)C)c(=O)c1=O.
What is the InChIKey of 1-(2-amino-3,3-dimethylbutyl)-4-methylpyrazine-2,3-dione?
The InChIKey is UETZNHQTQWPXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,3)8(12)7-14-6-5-13(4)9(15)10(14)16/h5-6,8H,7,12H2,1-4H3.
What are the key properties of 1-(2-amino-3,3-dimethylbutyl)-4-methylpyrazine-2,3-dione?
1-(2-amino-3,3-dimethylbutyl)-4-methylpyrazine-2,3-dione has a molecular weight of 225.29 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,3-dimethylbutyl)-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 62928731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).