2-[2-(aminomethyl)-5-propylcyclohexyl]-1H-pyridazine-3,6-dione

C14H23N3O2 — CID 43428549

IUPAC2-[2-(aminomethyl)-5-propylcyclohexyl]-1H-pyridazine-3,6-dione
SMILESCCCC1CCC(CN)C(n2[nH]c(=O)ccc2=O)C1
InChIInChI=1S/C14H23N3O2/c1-2-3-10-4-5-11(9-15)12(8-10)17-14(19)7-6-13(18)16-17/h6-7,10-12H,2-5,8-9,15H2,1H3,(H,16,18)
InChIKeyUDAUAVXOCCDVOY-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.25
Rot. Bonds4

About 2-[2-(aminomethyl)-5-propylcyclohexyl]-1H-pyridazine-3,6-dione

2-[2-(aminomethyl)-5-propylcyclohexyl]-1H-pyridazine-3,6-dione (PubChem CID 43428549) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-propylcyclohexyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-propylcyclohexyl]-1H-pyridazine-3,6-dione
PubChem CID43428549
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[2-(aminomethyl)-5-propylcyclohexyl]-1H-pyridazine-3,6-dione
SMILESCCCC1CCC(CN)C(n2[nH]c(=O)ccc2=O)C1
InChIInChI=1S/C14H23N3O2/c1-2-3-10-4-5-11(9-15)12(8-10)17-14(19)7-6-13(18)16-17/h6-7,10-12H,2-5,8-9,15H2,1H3,(H,16,18)
InChIKeyUDAUAVXOCCDVOY-UHFFFAOYSA-N
XLogP1.25
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(aminomethyl)-5-propylcyclohexyl]-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

2-[2-(aminomethyl)-5-ethylcyclohexyl]-1H-pyridazine-3,6-dione
CID 43329385
2-[2-(aminomethyl)-5-methylcyclohexyl]-1H-pyridazine-3,6-dione
CID 43428550
2-[2-(aminomethyl)cycloheptyl]-1H-pyridazine-3,6-dione
CID 43428551
2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione
CID 43428552
2-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1H-pyridazine-3,6-dione
CID 43428553
2-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1H-pyridazine-3,6-dione
CID 43428554
N-(2,3-dimethylcyclohexyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 53513193
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-methylcyclohexyl)acetamide
CID 71896162
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 95150405
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 95150407
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 97092033
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S,3S)-3-methylcyclohexyl]acetamide
CID 97092034

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-propylcyclohexyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(aminomethyl)-5-propylcyclohexyl]-1H-pyridazine-3,6-dione (CID 43428549) is 2-[2-(aminomethyl)-5-propylcyclohexyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(aminomethyl)-5-propylcyclohexyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(aminomethyl)-5-propylcyclohexyl]-1H-pyridazine-3,6-dione is CCCC1CCC(CN)C(n2[nH]c(=O)ccc2=O)C1.
What is the InChIKey of 2-[2-(aminomethyl)-5-propylcyclohexyl]-1H-pyridazine-3,6-dione?
The InChIKey is UDAUAVXOCCDVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-3-10-4-5-11(9-15)12(8-10)17-14(19)7-6-13(18)16-17/h6-7,10-12H,2-5,8-9,15H2,1H3,(H,16,18).
What are the key properties of 2-[2-(aminomethyl)-5-propylcyclohexyl]-1H-pyridazine-3,6-dione?
2-[2-(aminomethyl)-5-propylcyclohexyl]-1H-pyridazine-3,6-dione has a molecular weight of 265.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-propylcyclohexyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 43428549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).