3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one

C12H22N4O — CID 55155444

IUPAC3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one
SMILESCN(CCCN)c1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C12H22N4O/c1-12(2,3)16-9-7-14-10(11(16)17)15(4)8-5-6-13/h7,9H,5-6,8,13H2,1-4H3
InChIKeyALMBXMSZKQUXAG-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.78
Rot. Bonds4

About 3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one

3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one (PubChem CID 55155444) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one.

Molecular Properties

Compound Name3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one
PubChem CID55155444
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one
SMILESCN(CCCN)c1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C12H22N4O/c1-12(2,3)16-9-7-14-10(11(16)17)15(4)8-5-6-13/h7,9H,5-6,8,13H2,1-4H3
InChIKeyALMBXMSZKQUXAG-UHFFFAOYSA-N
XLogP0.78
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one?
The IUPAC name of 3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one (CID 55155444) is 3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one.
What is the SMILES notation for 3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one?
The canonical SMILES for 3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one is CN(CCCN)c1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one?
The InChIKey is ALMBXMSZKQUXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2,3)16-9-7-14-10(11(16)17)15(4)8-5-6-13/h7,9H,5-6,8,13H2,1-4H3.
What are the key properties of 3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one?
3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one has a molecular weight of 238.33 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one is sourced from PubChem (CID 55155444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).