5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide

C15H25N5 — CID 114593496

IUPAC5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CC(C)CC(C)C2C)nnc(C)c1C
InChIInChI=1S/C15H25N5/c1-8-6-9(2)12(5)20(7-8)15-13(14(16)17)10(3)11(4)18-19-15/h8-9,12H,6-7H2,1-5H3,(H3,16,17)
InChIKeyNPZAYCFZOMULBV-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.25
Rot. Bonds2

About 5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide

5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide (PubChem CID 114593496) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide
PubChem CID114593496
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CC(C)CC(C)C2C)nnc(C)c1C
InChIInChI=1S/C15H25N5/c1-8-6-9(2)12(5)20(7-8)15-13(14(16)17)10(3)11(4)18-19-15/h8-9,12H,6-7H2,1-5H3,(H3,16,17)
InChIKeyNPZAYCFZOMULBV-UHFFFAOYSA-N
XLogP2.25
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.25
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'}

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Related Compounds

5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carbothioamide
CID 114593343
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide
CID 102781482
3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 103534108
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide
CID 66055414
3-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136820485
3-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 55216184
3-(azepan-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 61096668
3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 62089530
2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
CID 114593511
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 79938613
2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
CID 107279406
3-(4-ethyl-4-methylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 63160762

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide?
The IUPAC name of 5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide (CID 114593496) is 5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide.
What is the SMILES notation for 5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide?
The canonical SMILES for 5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide is [H]/N=C(\N)c1c(N2CC(C)CC(C)C2C)nnc(C)c1C.
What is the InChIKey of 5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide?
The InChIKey is NPZAYCFZOMULBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-8-6-9(2)12(5)20(7-8)15-13(14(16)17)10(3)11(4)18-19-15/h8-9,12H,6-7H2,1-5H3,(H3,16,17).
What are the key properties of 5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide?
5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide is sourced from PubChem (CID 114593496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).