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

C9H15N3O2 — CID 43428362

IUPAC2-(1-aminopentan-3-yl)-1H-pyridazine-3,6-dione
SMILESCCC(CCN)n1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H15N3O2/c1-2-7(5-6-10)12-9(14)4-3-8(13)11-12/h3-4,7H,2,5-6,10H2,1H3,(H,11,13)
InChIKeyBWRBAKBHJOMBJG-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.16
Rot. Bonds4

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

2-(1-aminopentan-3-yl)-1H-pyridazine-3,6-dione (PubChem CID 43428362) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(1-aminopentan-3-yl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(1-aminopentan-3-yl)-1H-pyridazine-3,6-dione
PubChem CID43428362
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(1-aminopentan-3-yl)-1H-pyridazine-3,6-dione
SMILESCCC(CCN)n1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H15N3O2/c1-2-7(5-6-10)12-9(14)4-3-8(13)11-12/h3-4,7H,2,5-6,10H2,1H3,(H,11,13)
InChIKeyBWRBAKBHJOMBJG-UHFFFAOYSA-N
XLogP-0.16
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Butyl-1,2-dihydro-3,6-pyridazinedione
CID 246498
2-(4-amino-1,1,1-trifluorobutan-2-yl)-1H-pyridazine-3,6-dione
CID 43753206
6-hydroxy-2-isopropyl-3(2H)-pyridazinone
CID 11378616
N-(5-hydrazinylpentan-2-yl)prop-2-enamide
CID 21689825
2-pentyl-1H-pyridazine-3,6-dione
CID 70599423
N'-pentyl-N-propylprop-2-enehydrazide
CID 87504088
N-butyl-N'-pentylprop-2-enehydrazide
CID 87505162
1-(Cyclohexylamino)pyrrole-2,5-dione
CID 153254283
3-(3,6-dioxo-1H-pyridazin-2-yl)-N',N'-dimethylpropanehydrazide
CID 9179928
1-(2-Amino-1-methylbutyl)-1,2-dihydro-3,6-pyridazinedione
CID 16782849
2-(3-aminopropyl)-1H-pyridazine-3,6-dione
CID 16783899
2-(4-aminobutyl)-1H-pyridazine-3,6-dione
CID 20114400

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopentan-3-yl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(1-aminopentan-3-yl)-1H-pyridazine-3,6-dione (CID 43428362) is 2-(1-aminopentan-3-yl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(1-aminopentan-3-yl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(1-aminopentan-3-yl)-1H-pyridazine-3,6-dione is CCC(CCN)n1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(1-aminopentan-3-yl)-1H-pyridazine-3,6-dione?
The InChIKey is BWRBAKBHJOMBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-7(5-6-10)12-9(14)4-3-8(13)11-12/h3-4,7H,2,5-6,10H2,1H3,(H,11,13).
What are the key properties of 2-(1-aminopentan-3-yl)-1H-pyridazine-3,6-dione?
2-(1-aminopentan-3-yl)-1H-pyridazine-3,6-dione has a molecular weight of 197.24 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentan-3-yl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 43428362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).