3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one

C11H20N4O — CID 83178717

IUPAC3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one
SMILESCC(CCN)Nc1nccn(C(C)C)c1=O
InChIInChI=1S/C11H20N4O/c1-8(2)15-7-6-13-10(11(15)16)14-9(3)4-5-12/h6-9H,4-5,12H2,1-3H3,(H,13,14)
InChIKeyZNZFELKVKKADHQ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.97
Rot. Bonds5

About 3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one

3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one (PubChem CID 83178717) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one
PubChem CID83178717
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one
SMILESCC(CCN)Nc1nccn(C(C)C)c1=O
InChIInChI=1S/C11H20N4O/c1-8(2)15-7-6-13-10(11(15)16)14-9(3)4-5-12/h6-9H,4-5,12H2,1-3H3,(H,13,14)
InChIKeyZNZFELKVKKADHQ-UHFFFAOYSA-N
XLogP0.97
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one (CID 83178717) is 3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one is CC(CCN)Nc1nccn(C(C)C)c1=O.
What is the InChIKey of 3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one?
The InChIKey is ZNZFELKVKKADHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)15-7-6-13-10(11(15)16)14-9(3)4-5-12/h6-9H,4-5,12H2,1-3H3,(H,13,14).
What are the key properties of 3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one?
3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one has a molecular weight of 224.31 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 83178717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).