2-(3-aminopentan-2-yl)-1H-pyridazine-3,6-dione

C9H15N3O2 — CID 16782849

IUPAC2-(3-aminopentan-2-yl)-1H-pyridazine-3,6-dione
SMILESCCC(N)C(C)n1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H15N3O2/c1-3-7(10)6(2)12-9(14)5-4-8(13)11-12/h4-7H,3,10H2,1-2H3,(H,11,13)
InChIKeyAZYKEFPLCDCFEX-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.17
Rot. Bonds3

About 2-(3-aminopentan-2-yl)-1H-pyridazine-3,6-dione

2-(3-aminopentan-2-yl)-1H-pyridazine-3,6-dione (PubChem CID 16782849) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(3-aminopentan-2-yl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(3-aminopentan-2-yl)-1H-pyridazine-3,6-dione
PubChem CID16782849
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(3-aminopentan-2-yl)-1H-pyridazine-3,6-dione
SMILESCCC(N)C(C)n1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H15N3O2/c1-3-7(10)6(2)12-9(14)5-4-8(13)11-12/h4-7H,3,10H2,1-2H3,(H,11,13)
InChIKeyAZYKEFPLCDCFEX-UHFFFAOYSA-N
XLogP-0.17
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopentan-2-yl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(3-aminopentan-2-yl)-1H-pyridazine-3,6-dione (CID 16782849) is 2-(3-aminopentan-2-yl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(3-aminopentan-2-yl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(3-aminopentan-2-yl)-1H-pyridazine-3,6-dione is CCC(N)C(C)n1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3-aminopentan-2-yl)-1H-pyridazine-3,6-dione?
The InChIKey is AZYKEFPLCDCFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-7(10)6(2)12-9(14)5-4-8(13)11-12/h4-7H,3,10H2,1-2H3,(H,11,13).
What are the key properties of 2-(3-aminopentan-2-yl)-1H-pyridazine-3,6-dione?
2-(3-aminopentan-2-yl)-1H-pyridazine-3,6-dione has a molecular weight of 197.24 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopentan-2-yl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 16782849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).