3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one

C11H20N4O2 — CID 114171621

IUPAC3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCCCOCCN)c1=O
InChIInChI=1S/C11H20N4O2/c1-2-15-7-6-14-10(11(15)16)13-5-3-8-17-9-4-12/h6-7H,2-5,8-9,12H2,1H3,(H,13,14)
InChIKeyRRVRITZUALMPHI-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.04
Rot. Bonds8

About 3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one

3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one (PubChem CID 114171621) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one
PubChem CID114171621
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCCCOCCN)c1=O
InChIInChI=1S/C11H20N4O2/c1-2-15-7-6-14-10(11(15)16)13-5-3-8-17-9-4-12/h6-7H,2-5,8-9,12H2,1H3,(H,13,14)
InChIKeyRRVRITZUALMPHI-UHFFFAOYSA-N
XLogP0.04
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-ethoxypropylamino)-1-ethylpyrazin-2-one
CID 62940527
3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one
CID 106308205
3-[3-(2-aminoethoxy)propylamino]-1-tert-butylpyrazin-2-one
CID 106308349
1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one
CID 62939492
3-[3-(2-chloroethoxy)propylamino]-1-propylpyrazin-2-one
CID 114171266
1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one
CID 104577036
1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
CID 113327814
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide
CID 62940018
3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one
CID 106142615
methyl 6-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoate
CID 62927654
3-[(5-chloro-4-methylpentyl)amino]-1-ethylpyrazin-2-one
CID 106154553
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetamide
CID 62938604

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one (CID 114171621) is 3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one is CCn1ccnc(NCCCOCCN)c1=O.
What is the InChIKey of 3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one?
The InChIKey is RRVRITZUALMPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-15-7-6-14-10(11(15)16)13-5-3-8-17-9-4-12/h6-7H,2-5,8-9,12H2,1H3,(H,13,14).
What are the key properties of 3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one?
3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one has a molecular weight of 240.31 g/mol, XLogP of 0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 114171621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).