3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid

C10H15N3O2S — CID 80516950

IUPAC3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid
SMILESCSCC(C)CNc1nnccc1C(=O)O
InChIInChI=1S/C10H15N3O2S/c1-7(6-16-2)5-11-9-8(10(14)15)3-4-12-13-9/h3-4,7H,5-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyYNXPWUBGTDNNJI-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.59
Rot. Bonds6

About 3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid

3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid (PubChem CID 80516950) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid
PubChem CID80516950
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid
SMILESCSCC(C)CNc1nnccc1C(=O)O
InChIInChI=1S/C10H15N3O2S/c1-7(6-16-2)5-11-9-8(10(14)15)3-4-12-13-9/h3-4,7H,5-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyYNXPWUBGTDNNJI-UHFFFAOYSA-N
XLogP1.59
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbothioamide
CID 80511799
2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-3-carboxylic acid
CID 63960048
3-(3-methylsulfanylpropylamino)pyridazine-4-carboxylic acid
CID 80516931
3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid
CID 103464876
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid
CID 104765960
3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid
CID 80517927
3-(hexylamino)pyridazine-4-carboxylic acid
CID 80516727
3-(decylamino)pyridazine-4-carboxylic acid
CID 80517368
3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid
CID 80517663
3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid
CID 80517538
3-(4-methoxybutylamino)pyridazine-4-carboxylic acid
CID 80517584
3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid
CID 80517570

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid (CID 80516950) is 3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid is CSCC(C)CNc1nnccc1C(=O)O.
What is the InChIKey of 3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid?
The InChIKey is YNXPWUBGTDNNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7(6-16-2)5-11-9-8(10(14)15)3-4-12-13-9/h3-4,7H,5-6H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid?
3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80516950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).