3-[2-[3-aminopropyl(methyl)amino]-5-methyl-3-oxo-1,2-dihydropyrazin-4-yl]propanamide

C12H23N5O2 — CID 118614670

IUPAC3-[2-[3-aminopropyl(methyl)amino]-5-methyl-3-oxo-1,2-dihydropyrazin-4-yl]propanamide
SMILESCC1=CNC(N(C)CCCN)C(=O)N1CCC(N)=O
InChIInChI=1S/C12H23N5O2/c1-9-8-15-11(16(2)6-3-5-13)12(19)17(9)7-4-10(14)18/h8,11,15H,3-7,13H2,1-2H3,(H2,14,18)
InChIKeyZVGHRIBGNKQTOM-UHFFFAOYSA-N
MW269.35 g/mol
LogP-1.24
Rot. Bonds7

About 3-[2-[3-aminopropyl(methyl)amino]-5-methyl-3-oxo-1,2-dihydropyrazin-4-yl]propanamide

3-[2-[3-aminopropyl(methyl)amino]-5-methyl-3-oxo-1,2-dihydropyrazin-4-yl]propanamide (PubChem CID 118614670) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-[2-[3-aminopropyl(methyl)amino]-5-methyl-3-oxo-1,2-dihydropyrazin-4-yl]propanamide.

Molecular Properties

Compound Name3-[2-[3-aminopropyl(methyl)amino]-5-methyl-3-oxo-1,2-dihydropyrazin-4-yl]propanamide
PubChem CID118614670
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name3-[2-[3-aminopropyl(methyl)amino]-5-methyl-3-oxo-1,2-dihydropyrazin-4-yl]propanamide
SMILESCC1=CNC(N(C)CCCN)C(=O)N1CCC(N)=O
InChIInChI=1S/C12H23N5O2/c1-9-8-15-11(16(2)6-3-5-13)12(19)17(9)7-4-10(14)18/h8,11,15H,3-7,13H2,1-2H3,(H2,14,18)
InChIKeyZVGHRIBGNKQTOM-UHFFFAOYSA-N
XLogP-1.24
TPSA104.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-aminopropyl(methyl)amino]-5-methyl-3-oxo-1,2-dihydropyrazin-4-yl]propanamide?
The IUPAC name of 3-[2-[3-aminopropyl(methyl)amino]-5-methyl-3-oxo-1,2-dihydropyrazin-4-yl]propanamide (CID 118614670) is 3-[2-[3-aminopropyl(methyl)amino]-5-methyl-3-oxo-1,2-dihydropyrazin-4-yl]propanamide.
What is the SMILES notation for 3-[2-[3-aminopropyl(methyl)amino]-5-methyl-3-oxo-1,2-dihydropyrazin-4-yl]propanamide?
The canonical SMILES for 3-[2-[3-aminopropyl(methyl)amino]-5-methyl-3-oxo-1,2-dihydropyrazin-4-yl]propanamide is CC1=CNC(N(C)CCCN)C(=O)N1CCC(N)=O.
What is the InChIKey of 3-[2-[3-aminopropyl(methyl)amino]-5-methyl-3-oxo-1,2-dihydropyrazin-4-yl]propanamide?
The InChIKey is ZVGHRIBGNKQTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-9-8-15-11(16(2)6-3-5-13)12(19)17(9)7-4-10(14)18/h8,11,15H,3-7,13H2,1-2H3,(H2,14,18).
What are the key properties of 3-[2-[3-aminopropyl(methyl)amino]-5-methyl-3-oxo-1,2-dihydropyrazin-4-yl]propanamide?
3-[2-[3-aminopropyl(methyl)amino]-5-methyl-3-oxo-1,2-dihydropyrazin-4-yl]propanamide has a molecular weight of 269.35 g/mol, XLogP of -1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-aminopropyl(methyl)amino]-5-methyl-3-oxo-1,2-dihydropyrazin-4-yl]propanamide is sourced from PubChem (CID 118614670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).