3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one

C14H24N4O2 — CID 79072318

IUPAC3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC2CN(C)CCO2)c1=O
InChIInChI=1S/C14H24N4O2/c1-11(2)9-18-5-4-15-13(14(18)19)16-8-12-10-17(3)6-7-20-12/h4-5,11-12H,6-10H2,1-3H3,(H,15,16)
InChIKeyPQTWBONOTUZWKE-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.64
Rot. Bonds5

About 3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one

3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 79072318) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID79072318
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC2CN(C)CCO2)c1=O
InChIInChI=1S/C14H24N4O2/c1-11(2)9-18-5-4-15-13(14(18)19)16-8-12-10-17(3)6-7-20-12/h4-5,11-12H,6-10H2,1-3H3,(H,15,16)
InChIKeyPQTWBONOTUZWKE-UHFFFAOYSA-N
XLogP0.64
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one (CID 79072318) is 3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NCC2CN(C)CCO2)c1=O.
What is the InChIKey of 3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is PQTWBONOTUZWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11(2)9-18-5-4-15-13(14(18)19)16-8-12-10-17(3)6-7-20-12/h4-5,11-12H,6-10H2,1-3H3,(H,15,16).
What are the key properties of 3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one?
3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 280.37 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 79072318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).