1-methyl-4-[2-(5-methylhexan-2-ylamino)ethyl]pyrazine-2,3-dione

C14H25N3O2 — CID 62929096

IUPAC1-methyl-4-[2-(5-methylhexan-2-ylamino)ethyl]pyrazine-2,3-dione
SMILESCC(C)CCC(C)NCCn1ccn(C)c(=O)c1=O
InChIInChI=1S/C14H25N3O2/c1-11(2)5-6-12(3)15-7-8-17-10-9-16(4)13(18)14(17)19/h9-12,15H,5-8H2,1-4H3
InChIKeyYVCWCDISLAEOLM-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.96
Rot. Bonds7

About 1-methyl-4-[2-(5-methylhexan-2-ylamino)ethyl]pyrazine-2,3-dione

1-methyl-4-[2-(5-methylhexan-2-ylamino)ethyl]pyrazine-2,3-dione (PubChem CID 62929096) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-methyl-4-[2-(5-methylhexan-2-ylamino)ethyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-[2-(5-methylhexan-2-ylamino)ethyl]pyrazine-2,3-dione
PubChem CID62929096
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-methyl-4-[2-(5-methylhexan-2-ylamino)ethyl]pyrazine-2,3-dione
SMILESCC(C)CCC(C)NCCn1ccn(C)c(=O)c1=O
InChIInChI=1S/C14H25N3O2/c1-11(2)5-6-12(3)15-7-8-17-10-9-16(4)13(18)14(17)19/h9-12,15H,5-8H2,1-4H3
InChIKeyYVCWCDISLAEOLM-UHFFFAOYSA-N
XLogP0.96
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.96
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-methyl-4-[2-(5-methylhexan-2-ylamino)ethyl]pyrazine-2,3-dione?
The IUPAC name of 1-methyl-4-[2-(5-methylhexan-2-ylamino)ethyl]pyrazine-2,3-dione (CID 62929096) is 1-methyl-4-[2-(5-methylhexan-2-ylamino)ethyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-methyl-4-[2-(5-methylhexan-2-ylamino)ethyl]pyrazine-2,3-dione?
The canonical SMILES for 1-methyl-4-[2-(5-methylhexan-2-ylamino)ethyl]pyrazine-2,3-dione is CC(C)CCC(C)NCCn1ccn(C)c(=O)c1=O.
What is the InChIKey of 1-methyl-4-[2-(5-methylhexan-2-ylamino)ethyl]pyrazine-2,3-dione?
The InChIKey is YVCWCDISLAEOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(2)5-6-12(3)15-7-8-17-10-9-16(4)13(18)14(17)19/h9-12,15H,5-8H2,1-4H3.
What are the key properties of 1-methyl-4-[2-(5-methylhexan-2-ylamino)ethyl]pyrazine-2,3-dione?
1-methyl-4-[2-(5-methylhexan-2-ylamino)ethyl]pyrazine-2,3-dione has a molecular weight of 267.37 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(5-methylhexan-2-ylamino)ethyl]pyrazine-2,3-dione is sourced from PubChem (CID 62929096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).