5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid

C14H17N3O2S — CID 62711856

IUPAC5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid
SMILESCc1nnc(NC(C)Cc2ccsc2)c(C(=O)O)c1C
InChIInChI=1S/C14H17N3O2S/c1-8(6-11-4-5-20-7-11)15-13-12(14(18)19)9(2)10(3)16-17-13/h4-5,7-8H,6H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyZUYAZIQJWDPCCF-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.90
Rot. Bonds5

About 5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid

5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid (PubChem CID 62711856) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid
PubChem CID62711856
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid
SMILESCc1nnc(NC(C)Cc2ccsc2)c(C(=O)O)c1C
InChIInChI=1S/C14H17N3O2S/c1-8(6-11-4-5-20-7-11)15-13-12(14(18)19)9(2)10(3)16-17-13/h4-5,7-8H,6H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyZUYAZIQJWDPCCF-UHFFFAOYSA-N
XLogP2.90
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 62711700
5-(1-thiophen-3-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 64630914
2-amino-3-fluoro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 83215271
5,6-dimethyl-3-(3-methylbutan-2-ylamino)pyridazine-4-carboxylic acid
CID 62710596
5-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 62516052
2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine
CID 82239190
2-methyl-5-methylsulfonyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidin-4-amine
CID 97204672
1-[4-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)pyrimidin-5-yl]ethanone
CID 135109399
2-bromo-3-fluoro-4-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 107540068
(2S)-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)pentanedioic acid
CID 61475692
3-[1-(2-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62711194
6-methyl-N-(1-thiophen-3-ylpropan-2-yl)pyridin-3-amine
CID 115921558

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid (CID 62711856) is 5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid is Cc1nnc(NC(C)Cc2ccsc2)c(C(=O)O)c1C.
What is the InChIKey of 5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid?
The InChIKey is ZUYAZIQJWDPCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8(6-11-4-5-20-7-11)15-13-12(14(18)19)9(2)10(3)16-17-13/h4-5,7-8H,6H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid?
5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid has a molecular weight of 291.38 g/mol, XLogP of 2.90, 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-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 62711856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).