3-(morpholin-2-ylmethylamino)-1-propylpyrazin-2-one

C12H20N4O2 — CID 115324122

IUPAC3-(morpholin-2-ylmethylamino)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC2CNCCO2)c1=O
InChIInChI=1S/C12H20N4O2/c1-2-5-16-6-3-14-11(12(16)17)15-9-10-8-13-4-7-18-10/h3,6,10,13H,2,4-5,7-9H2,1H3,(H,14,15)
InChIKeyIUAIOKSQJYLXBS-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.05
Rot. Bonds5

About 3-(morpholin-2-ylmethylamino)-1-propylpyrazin-2-one

3-(morpholin-2-ylmethylamino)-1-propylpyrazin-2-one (PubChem CID 115324122) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(morpholin-2-ylmethylamino)-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-(morpholin-2-ylmethylamino)-1-propylpyrazin-2-one
PubChem CID115324122
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-(morpholin-2-ylmethylamino)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC2CNCCO2)c1=O
InChIInChI=1S/C12H20N4O2/c1-2-5-16-6-3-14-11(12(16)17)15-9-10-8-13-4-7-18-10/h3,6,10,13H,2,4-5,7-9H2,1H3,(H,14,15)
InChIKeyIUAIOKSQJYLXBS-UHFFFAOYSA-N
XLogP0.05
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-2-ylmethylamino)-1-propylpyrazin-2-one?
The IUPAC name of 3-(morpholin-2-ylmethylamino)-1-propylpyrazin-2-one (CID 115324122) is 3-(morpholin-2-ylmethylamino)-1-propylpyrazin-2-one.
What is the SMILES notation for 3-(morpholin-2-ylmethylamino)-1-propylpyrazin-2-one?
The canonical SMILES for 3-(morpholin-2-ylmethylamino)-1-propylpyrazin-2-one is CCCn1ccnc(NCC2CNCCO2)c1=O.
What is the InChIKey of 3-(morpholin-2-ylmethylamino)-1-propylpyrazin-2-one?
The InChIKey is IUAIOKSQJYLXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-5-16-6-3-14-11(12(16)17)15-9-10-8-13-4-7-18-10/h3,6,10,13H,2,4-5,7-9H2,1H3,(H,14,15).
What are the key properties of 3-(morpholin-2-ylmethylamino)-1-propylpyrazin-2-one?
3-(morpholin-2-ylmethylamino)-1-propylpyrazin-2-one has a molecular weight of 252.32 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-2-ylmethylamino)-1-propylpyrazin-2-one is sourced from PubChem (CID 115324122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).