5,6-dimethyl-3-(2-piperidin-1-ylpropylamino)pyridazine-4-carboxylic acid

C15H24N4O2 — CID 62710643

IUPAC5,6-dimethyl-3-(2-piperidin-1-ylpropylamino)pyridazine-4-carboxylic acid
SMILESCc1nnc(NCC(C)N2CCCCC2)c(C(=O)O)c1C
InChIInChI=1S/C15H24N4O2/c1-10(19-7-5-4-6-8-19)9-16-14-13(15(20)21)11(2)12(3)17-18-14/h10H,4-9H2,1-3H3,(H,16,18)(H,20,21)
InChIKeyJCJWKKPZVLFGCY-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.08
Rot. Bonds5

About 5,6-dimethyl-3-(2-piperidin-1-ylpropylamino)pyridazine-4-carboxylic acid

5,6-dimethyl-3-(2-piperidin-1-ylpropylamino)pyridazine-4-carboxylic acid (PubChem CID 62710643) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2-piperidin-1-ylpropylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-3-(2-piperidin-1-ylpropylamino)pyridazine-4-carboxylic acid
PubChem CID62710643
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5,6-dimethyl-3-(2-piperidin-1-ylpropylamino)pyridazine-4-carboxylic acid
SMILESCc1nnc(NCC(C)N2CCCCC2)c(C(=O)O)c1C
InChIInChI=1S/C15H24N4O2/c1-10(19-7-5-4-6-8-19)9-16-14-13(15(20)21)11(2)12(3)17-18-14/h10H,4-9H2,1-3H3,(H,16,18)(H,20,21)
InChIKeyJCJWKKPZVLFGCY-UHFFFAOYSA-N
XLogP2.08
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-Dimethyl-3-(piperazin-1-yl)pyridazine-4-carboxamide
CID 50987617
3-(4,4-Difluoroazepan-1-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 169123833
3-(6-Azaspiro[2.5]octan-6-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 169123881
3-(Azepan-1-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 169124766
5,6-Dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
CID 55107752
5,6-Dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
CID 62701668
5,6-Dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
CID 62702859
3-[Ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62703199
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62703534
3-[(3,4-Difluorophenyl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62709325
5,6-Dimethyl-3-[(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
CID 62709593
3-[(2-Fluorophenyl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62709770

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2-piperidin-1-ylpropylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-dimethyl-3-(2-piperidin-1-ylpropylamino)pyridazine-4-carboxylic acid (CID 62710643) is 5,6-dimethyl-3-(2-piperidin-1-ylpropylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-3-(2-piperidin-1-ylpropylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-3-(2-piperidin-1-ylpropylamino)pyridazine-4-carboxylic acid is Cc1nnc(NCC(C)N2CCCCC2)c(C(=O)O)c1C.
What is the InChIKey of 5,6-dimethyl-3-(2-piperidin-1-ylpropylamino)pyridazine-4-carboxylic acid?
The InChIKey is JCJWKKPZVLFGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10(19-7-5-4-6-8-19)9-16-14-13(15(20)21)11(2)12(3)17-18-14/h10H,4-9H2,1-3H3,(H,16,18)(H,20,21).
What are the key properties of 5,6-dimethyl-3-(2-piperidin-1-ylpropylamino)pyridazine-4-carboxylic acid?
5,6-dimethyl-3-(2-piperidin-1-ylpropylamino)pyridazine-4-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2-piperidin-1-ylpropylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 62710643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).