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

C10H15N3O2 — CID 63912012

IUPAC1-(2-amino-2-cyclopropylethyl)-4-methylpyrazine-2,3-dione
SMILESCn1ccn(CC(N)C2CC2)c(=O)c1=O
InChIInChI=1S/C10H15N3O2/c1-12-4-5-13(10(15)9(12)14)6-8(11)7-2-3-7/h4-5,7-8H,2-3,6,11H2,1H3
InChIKeyDTOJKZGNWQZPAW-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.72
Rot. Bonds3

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

1-(2-amino-2-cyclopropylethyl)-4-methylpyrazine-2,3-dione (PubChem CID 63912012) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(2-amino-2-cyclopropylethyl)-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-(2-amino-2-cyclopropylethyl)-4-methylpyrazine-2,3-dione
PubChem CID63912012
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-(2-amino-2-cyclopropylethyl)-4-methylpyrazine-2,3-dione
SMILESCn1ccn(CC(N)C2CC2)c(=O)c1=O
InChIInChI=1S/C10H15N3O2/c1-12-4-5-13(10(15)9(12)14)6-8(11)7-2-3-7/h4-5,7-8H,2-3,6,11H2,1H3
InChIKeyDTOJKZGNWQZPAW-UHFFFAOYSA-N
XLogP-0.72
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.72
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-2-cyclopropylethyl)-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-(2-amino-2-cyclopropylethyl)-4-methylpyrazine-2,3-dione (CID 63912012) is 1-(2-amino-2-cyclopropylethyl)-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-(2-amino-2-cyclopropylethyl)-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-(2-amino-2-cyclopropylethyl)-4-methylpyrazine-2,3-dione is Cn1ccn(CC(N)C2CC2)c(=O)c1=O.
What is the InChIKey of 1-(2-amino-2-cyclopropylethyl)-4-methylpyrazine-2,3-dione?
The InChIKey is DTOJKZGNWQZPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-12-4-5-13(10(15)9(12)14)6-8(11)7-2-3-7/h4-5,7-8H,2-3,6,11H2,1H3.
What are the key properties of 1-(2-amino-2-cyclopropylethyl)-4-methylpyrazine-2,3-dione?
1-(2-amino-2-cyclopropylethyl)-4-methylpyrazine-2,3-dione has a molecular weight of 209.25 g/mol, XLogP of -0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-cyclopropylethyl)-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 63912012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).