1-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione

C11H17N3O3 — CID 55156241

IUPAC1-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione
SMILESCn1ccn(CC(O)CNC2CC2)c(=O)c1=O
InChIInChI=1S/C11H17N3O3/c1-13-4-5-14(11(17)10(13)16)7-9(15)6-12-8-2-3-8/h4-5,8-9,12,15H,2-3,6-7H2,1H3
InChIKeyKEIUDZPYXNSKRD-UHFFFAOYSA-N
MW239.27 g/mol
LogP-1.34
Rot. Bonds5

About 1-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione

1-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione (PubChem CID 55156241) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione
PubChem CID55156241
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione
SMILESCn1ccn(CC(O)CNC2CC2)c(=O)c1=O
InChIInChI=1S/C11H17N3O3/c1-13-4-5-14(11(17)10(13)16)7-9(15)6-12-8-2-3-8/h4-5,8-9,12,15H,2-3,6-7H2,1H3
InChIKeyKEIUDZPYXNSKRD-UHFFFAOYSA-N
XLogP-1.34
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione (CID 55156241) is 1-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione is Cn1ccn(CC(O)CNC2CC2)c(=O)c1=O.
What is the InChIKey of 1-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione?
The InChIKey is KEIUDZPYXNSKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-13-4-5-14(11(17)10(13)16)7-9(15)6-12-8-2-3-8/h4-5,8-9,12,15H,2-3,6-7H2,1H3.
What are the key properties of 1-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione?
1-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione has a molecular weight of 239.27 g/mol, XLogP of -1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 55156241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).