3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one

C10H18N4O — CID 63766845

IUPAC3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one
SMILESCCCN(CCN)c1nccn(C)c1=O
InChIInChI=1S/C10H18N4O/c1-3-6-14(7-4-11)9-10(15)13(2)8-5-12-9/h5,8H,3-4,6-7,11H2,1-2H3
InChIKeyIGPGSOIKKMVZMB-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.04
Rot. Bonds5

About 3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one

3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one (PubChem CID 63766845) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one
PubChem CID63766845
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one
SMILESCCCN(CCN)c1nccn(C)c1=O
InChIInChI=1S/C10H18N4O/c1-3-6-14(7-4-11)9-10(15)13(2)8-5-12-9/h5,8H,3-4,6-7,11H2,1-2H3
InChIKeyIGPGSOIKKMVZMB-UHFFFAOYSA-N
XLogP-0.04
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one (CID 63766845) is 3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one is CCCN(CCN)c1nccn(C)c1=O.
What is the InChIKey of 3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one?
The InChIKey is IGPGSOIKKMVZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-6-14(7-4-11)9-10(15)13(2)8-5-12-9/h5,8H,3-4,6-7,11H2,1-2H3.
What are the key properties of 3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one?
3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one has a molecular weight of 210.28 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 63766845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).