6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid

C10H10N4O2S — CID 54950646

IUPAC6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid
SMILESCc1nc(Nc2ccc(C(=O)O)nn2)sc1C
InChIInChI=1S/C10H10N4O2S/c1-5-6(2)17-10(11-5)12-8-4-3-7(9(15)16)13-14-8/h3-4H,1-2H3,(H,15,16)(H,11,12,14)
InChIKeyIXPONTXNOBVRMQ-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.99
Rot. Bonds3

About 6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid

6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid (PubChem CID 54950646) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid
PubChem CID54950646
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid
SMILESCc1nc(Nc2ccc(C(=O)O)nn2)sc1C
InChIInChI=1S/C10H10N4O2S/c1-5-6(2)17-10(11-5)12-8-4-3-7(9(15)16)13-14-8/h3-4H,1-2H3,(H,15,16)(H,11,12,14)
InChIKeyIXPONTXNOBVRMQ-UHFFFAOYSA-N
XLogP1.99
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid (CID 54950646) is 6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid is Cc1nc(Nc2ccc(C(=O)O)nn2)sc1C.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid?
The InChIKey is IXPONTXNOBVRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-5-6(2)17-10(11-5)12-8-4-3-7(9(15)16)13-14-8/h3-4H,1-2H3,(H,15,16)(H,11,12,14).
What are the key properties of 6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid?
6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 54950646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).