2-[2-(aminomethyl)cycloheptyl]-1H-pyridazine-3,6-dione

C12H19N3O2 — CID 43428551

IUPAC2-[2-(aminomethyl)cycloheptyl]-1H-pyridazine-3,6-dione
SMILESNCC1CCCCCC1n1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H19N3O2/c13-8-9-4-2-1-3-5-10(9)15-12(17)7-6-11(16)14-15/h6-7,9-10H,1-5,8,13H2,(H,14,16)
InChIKeyARKHEYHOESAXTG-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.62
Rot. Bonds2

About 2-[2-(aminomethyl)cycloheptyl]-1H-pyridazine-3,6-dione

2-[2-(aminomethyl)cycloheptyl]-1H-pyridazine-3,6-dione (PubChem CID 43428551) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-(aminomethyl)cycloheptyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(aminomethyl)cycloheptyl]-1H-pyridazine-3,6-dione
PubChem CID43428551
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[2-(aminomethyl)cycloheptyl]-1H-pyridazine-3,6-dione
SMILESNCC1CCCCCC1n1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H19N3O2/c13-8-9-4-2-1-3-5-10(9)15-12(17)7-6-11(16)14-15/h6-7,9-10H,1-5,8,13H2,(H,14,16)
InChIKeyARKHEYHOESAXTG-UHFFFAOYSA-N
XLogP0.62
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(aminomethyl)cycloheptyl]-1H-pyridazine-3,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(aminomethyl)cyclohexyl]pyridin-2-one
CID 43428508
1-[2-(aminomethyl)cyclopentyl]-3H-indol-2-one
CID 43428561
2-(1,1-dioxothiolan-3-yl)-1H-pyridazine-3,6-dione
CID 3655322
1-[2-(aminomethyl)cyclopentyl]pyrrolidine-2,5-dione
CID 43428512
3-[2-(aminomethyl)cyclohexyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43428596
[2-(azepan-1-yl)cyclopentyl]methanamine
CID 43293383
[2-(3-methylazetidin-1-yl)cycloheptyl]methanamine
CID 164661715
(2-indol-1-ylcycloheptyl)methanamine
CID 43329408
3-[2-(aminomethyl)cyclohexyl]-1,2,3-benzotriazin-4-one
CID 43589270
3-[6-[[4-[(1R,2S)-2-(aminomethyl)cyclohexyl]piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167730493
[2-[(4-bromophenyl)methyl]cyclohexyl]methanamine
CID 81011021
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride
CID 50944349

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)cycloheptyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(aminomethyl)cycloheptyl]-1H-pyridazine-3,6-dione (CID 43428551) is 2-[2-(aminomethyl)cycloheptyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(aminomethyl)cycloheptyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(aminomethyl)cycloheptyl]-1H-pyridazine-3,6-dione is NCC1CCCCCC1n1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[2-(aminomethyl)cycloheptyl]-1H-pyridazine-3,6-dione?
The InChIKey is ARKHEYHOESAXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-8-9-4-2-1-3-5-10(9)15-12(17)7-6-11(16)14-15/h6-7,9-10H,1-5,8,13H2,(H,14,16).
What are the key properties of 2-[2-(aminomethyl)cycloheptyl]-1H-pyridazine-3,6-dione?
2-[2-(aminomethyl)cycloheptyl]-1H-pyridazine-3,6-dione has a molecular weight of 237.30 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)cycloheptyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 43428551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).