1-methyl-4-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazine-2,3-dione

C14H23N3O2 — CID 62927707

IUPAC1-methyl-4-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazine-2,3-dione
SMILESCC1CCCC(NCCn2ccn(C)c(=O)c2=O)C1
InChIInChI=1S/C14H23N3O2/c1-11-4-3-5-12(10-11)15-6-7-17-9-8-16(2)13(18)14(17)19/h8-9,11-12,15H,3-7,10H2,1-2H3
InChIKeyXCIOKVLGDBUBNZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.72
Rot. Bonds4

About 1-methyl-4-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazine-2,3-dione

1-methyl-4-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazine-2,3-dione (PubChem CID 62927707) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-methyl-4-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazine-2,3-dione
PubChem CID62927707
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-methyl-4-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazine-2,3-dione
SMILESCC1CCCC(NCCn2ccn(C)c(=O)c2=O)C1
InChIInChI=1S/C14H23N3O2/c1-11-4-3-5-12(10-11)15-6-7-17-9-8-16(2)13(18)14(17)19/h8-9,11-12,15H,3-7,10H2,1-2H3
InChIKeyXCIOKVLGDBUBNZ-UHFFFAOYSA-N
XLogP0.72
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.72
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-methyl-4-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazine-2,3-dione?
The IUPAC name of 1-methyl-4-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazine-2,3-dione (CID 62927707) is 1-methyl-4-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-methyl-4-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazine-2,3-dione?
The canonical SMILES for 1-methyl-4-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazine-2,3-dione is CC1CCCC(NCCn2ccn(C)c(=O)c2=O)C1.
What is the InChIKey of 1-methyl-4-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazine-2,3-dione?
The InChIKey is XCIOKVLGDBUBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-4-3-5-12(10-11)15-6-7-17-9-8-16(2)13(18)14(17)19/h8-9,11-12,15H,3-7,10H2,1-2H3.
What are the key properties of 1-methyl-4-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazine-2,3-dione?
1-methyl-4-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazine-2,3-dione has a molecular weight of 265.36 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazine-2,3-dione is sourced from PubChem (CID 62927707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).