3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide

C13H21N5 — CID 80513361

IUPAC3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N1CCCC(C)(C)CC1
InChIInChI=1S/C13H21N5/c1-13(2)5-3-8-18(9-6-13)12-10(11(14)15)4-7-16-17-12/h4,7H,3,5-6,8-9H2,1-2H3,(H3,14,15)
InChIKeyCNPOAYFMMUMXEI-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.78
Rot. Bonds2

About 3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide

3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide (PubChem CID 80513361) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide
PubChem CID80513361
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N1CCCC(C)(C)CC1
InChIInChI=1S/C13H21N5/c1-13(2)5-3-8-18(9-6-13)12-10(11(14)15)4-7-16-17-12/h4,7H,3,5-6,8-9H2,1-2H3,(H3,14,15)
InChIKeyCNPOAYFMMUMXEI-UHFFFAOYSA-N
XLogP1.78
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide 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

3-(4,4-dimethylazepan-1-yl)pyridazine-4-carbothioamide
CID 80511713
3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide
CID 80513596
3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide
CID 80513375
3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide
CID 80513357
3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide
CID 80513468
2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide
CID 81096579
2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 81096071
3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridazine-4-carboximidamide
CID 80513474
3-imidazol-1-ylpyridazine-4-carboximidamide
CID 80513473
3-(4-methylpyrazol-1-yl)pyridazine-4-carboximidamide
CID 80513615
3-pyrrolidin-1-ylpyridazine-4-carboxylic acid
CID 80517688
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazine-4-carboximidamide
CID 102883786

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide?
The IUPAC name of 3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide (CID 80513361) is 3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide.
What is the SMILES notation for 3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide?
The canonical SMILES for 3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1N1CCCC(C)(C)CC1.
What is the InChIKey of 3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide?
The InChIKey is CNPOAYFMMUMXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-13(2)5-3-8-18(9-6-13)12-10(11(14)15)4-7-16-17-12/h4,7H,3,5-6,8-9H2,1-2H3,(H3,14,15).
What are the key properties of 3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide?
3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide has a molecular weight of 247.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide is sourced from PubChem (CID 80513361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).