3-[(3-amino-2-methylpropyl)amino]-1-methylpyrazin-2-one

C9H16N4O — CID 65034860

IUPAC3-[(3-amino-2-methylpropyl)amino]-1-methylpyrazin-2-one
SMILESCC(CN)CNc1nccn(C)c1=O
InChIInChI=1S/C9H16N4O/c1-7(5-10)6-12-8-9(14)13(2)4-3-11-8/h3-4,7H,5-6,10H2,1-2H3,(H,11,12)
InChIKeyUTYMHBPQJXALDG-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.21
Rot. Bonds4

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

3-[(3-amino-2-methylpropyl)amino]-1-methylpyrazin-2-one (PubChem CID 65034860) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[(3-amino-2-methylpropyl)amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3-amino-2-methylpropyl)amino]-1-methylpyrazin-2-one
PubChem CID65034860
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-[(3-amino-2-methylpropyl)amino]-1-methylpyrazin-2-one
SMILESCC(CN)CNc1nccn(C)c1=O
InChIInChI=1S/C9H16N4O/c1-7(5-10)6-12-8-9(14)13(2)4-3-11-8/h3-4,7H,5-6,10H2,1-2H3,(H,11,12)
InChIKeyUTYMHBPQJXALDG-UHFFFAOYSA-N
XLogP-0.21
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2-methylpropyl)amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(3-amino-2-methylpropyl)amino]-1-methylpyrazin-2-one (CID 65034860) is 3-[(3-amino-2-methylpropyl)amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(3-amino-2-methylpropyl)amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(3-amino-2-methylpropyl)amino]-1-methylpyrazin-2-one is CC(CN)CNc1nccn(C)c1=O.
What is the InChIKey of 3-[(3-amino-2-methylpropyl)amino]-1-methylpyrazin-2-one?
The InChIKey is UTYMHBPQJXALDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(5-10)6-12-8-9(14)13(2)4-3-11-8/h3-4,7H,5-6,10H2,1-2H3,(H,11,12).
What are the key properties of 3-[(3-amino-2-methylpropyl)amino]-1-methylpyrazin-2-one?
3-[(3-amino-2-methylpropyl)amino]-1-methylpyrazin-2-one has a molecular weight of 196.25 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2-methylpropyl)amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 65034860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).