6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazine-3-carboxylic acid

C10H10N4O2S — CID 54962913

IUPAC6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazine-3-carboxylic acid
SMILESCc1nc(CNc2ccc(C(=O)O)nn2)cs1
InChIInChI=1S/C10H10N4O2S/c1-6-12-7(5-17-6)4-11-9-3-2-8(10(15)16)13-14-9/h2-3,5H,4H2,1H3,(H,11,14)(H,15,16)
InChIKeyNAGCYOSWMKQNAX-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.55
Rot. Bonds4

About 6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazine-3-carboxylic acid

6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazine-3-carboxylic acid (PubChem CID 54962913) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazine-3-carboxylic acid
PubChem CID54962913
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazine-3-carboxylic acid
SMILESCc1nc(CNc2ccc(C(=O)O)nn2)cs1
InChIInChI=1S/C10H10N4O2S/c1-6-12-7(5-17-6)4-11-9-3-2-8(10(15)16)13-14-9/h2-3,5H,4H2,1H3,(H,11,14)(H,15,16)
InChIKeyNAGCYOSWMKQNAX-UHFFFAOYSA-N
XLogP1.55
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazine-3-carboxylic acid (CID 54962913) is 6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazine-3-carboxylic acid is Cc1nc(CNc2ccc(C(=O)O)nn2)cs1.
What is the InChIKey of 6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazine-3-carboxylic acid?
The InChIKey is NAGCYOSWMKQNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-6-12-7(5-17-6)4-11-9-3-2-8(10(15)16)13-14-9/h2-3,5H,4H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazine-3-carboxylic acid?
6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazine-3-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 54962913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).