3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one

C13H24N4O — CID 62928019

IUPAC3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one
SMILESCCCCN(CCN)c1nccn(CCC)c1=O
InChIInChI=1S/C13H24N4O/c1-3-5-9-16(10-6-14)12-13(18)17(8-4-2)11-7-15-12/h7,11H,3-6,8-10,14H2,1-2H3
InChIKeyZTSZEDYSEDHGGM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.22
Rot. Bonds8

About 3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one

3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one (PubChem CID 62928019) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one
PubChem CID62928019
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one
SMILESCCCCN(CCN)c1nccn(CCC)c1=O
InChIInChI=1S/C13H24N4O/c1-3-5-9-16(10-6-14)12-13(18)17(8-4-2)11-7-15-12/h7,11H,3-6,8-10,14H2,1-2H3
InChIKeyZTSZEDYSEDHGGM-UHFFFAOYSA-N
XLogP1.22
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one (CID 62928019) is 3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one is CCCCN(CCN)c1nccn(CCC)c1=O.
What is the InChIKey of 3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one?
The InChIKey is ZTSZEDYSEDHGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-5-9-16(10-6-14)12-13(18)17(8-4-2)11-7-15-12/h7,11H,3-6,8-10,14H2,1-2H3.
What are the key properties of 3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one?
3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 62928019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).