5,6-diethyl-3-(3-hydroxypiperidin-1-yl)pyridazine-4-carboximidamide

C14H23N5O — CID 80513433

IUPAC5,6-diethyl-3-(3-hydroxypiperidin-1-yl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CCCC(O)C2)nnc(CC)c1CC
InChIInChI=1S/C14H23N5O/c1-3-10-11(4-2)17-18-14(12(10)13(15)16)19-7-5-6-9(20)8-19/h9,20H,3-8H2,1-2H3,(H3,15,16)
InChIKeyRKGDSMIEOYUDJT-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.85
Rot. Bonds4

About 5,6-diethyl-3-(3-hydroxypiperidin-1-yl)pyridazine-4-carboximidamide

5,6-diethyl-3-(3-hydroxypiperidin-1-yl)pyridazine-4-carboximidamide (PubChem CID 80513433) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 5,6-diethyl-3-(3-hydroxypiperidin-1-yl)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name5,6-diethyl-3-(3-hydroxypiperidin-1-yl)pyridazine-4-carboximidamide
PubChem CID80513433
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name5,6-diethyl-3-(3-hydroxypiperidin-1-yl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CCCC(O)C2)nnc(CC)c1CC
InChIInChI=1S/C14H23N5O/c1-3-10-11(4-2)17-18-14(12(10)13(15)16)19-7-5-6-9(20)8-19/h9,20H,3-8H2,1-2H3,(H3,15,16)
InChIKeyRKGDSMIEOYUDJT-UHFFFAOYSA-N
XLogP0.85
TPSA99.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-(2-Ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 42949502
5,6-Dimethyl-3-(2-methylmorpholin-4-yl)pyridazine-4-carbonitrile
CID 45872193
3-[2-[(Dimethylamino)methyl]morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 53599004
3-(2,6-Dimethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 45806866
5,6-dimethyl-3-[(6S)-2,2,6-trimethylmorpholin-4-yl]pyridazine-4-carbonitrile
CID 93992993
2-[[4-(Aminomethyl)-5,6-diethylpyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107478444
2-[[4-(Aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107478451
2-[[4-(Aminomethyl)-5,6-diethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478491
2-[[4-(Aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478497
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-5,6-diethylpyridazine-4-carbothioamide
CID 107479832
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
CID 107479841
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
CID 107479876

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(3-hydroxypiperidin-1-yl)pyridazine-4-carboximidamide?
The IUPAC name of 5,6-diethyl-3-(3-hydroxypiperidin-1-yl)pyridazine-4-carboximidamide (CID 80513433) is 5,6-diethyl-3-(3-hydroxypiperidin-1-yl)pyridazine-4-carboximidamide.
What is the SMILES notation for 5,6-diethyl-3-(3-hydroxypiperidin-1-yl)pyridazine-4-carboximidamide?
The canonical SMILES for 5,6-diethyl-3-(3-hydroxypiperidin-1-yl)pyridazine-4-carboximidamide is [H]/N=C(\N)c1c(N2CCCC(O)C2)nnc(CC)c1CC.
What is the InChIKey of 5,6-diethyl-3-(3-hydroxypiperidin-1-yl)pyridazine-4-carboximidamide?
The InChIKey is RKGDSMIEOYUDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-10-11(4-2)17-18-14(12(10)13(15)16)19-7-5-6-9(20)8-19/h9,20H,3-8H2,1-2H3,(H3,15,16).
What are the key properties of 5,6-diethyl-3-(3-hydroxypiperidin-1-yl)pyridazine-4-carboximidamide?
5,6-diethyl-3-(3-hydroxypiperidin-1-yl)pyridazine-4-carboximidamide has a molecular weight of 277.37 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(3-hydroxypiperidin-1-yl)pyridazine-4-carboximidamide is sourced from PubChem (CID 80513433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).