3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid

C9H8N4O2S — CID 80516563

IUPAC3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1NCc1cscn1
InChIInChI=1S/C9H8N4O2S/c14-9(15)7-1-2-12-13-8(7)10-3-6-4-16-5-11-6/h1-2,4-5H,3H2,(H,10,13)(H,14,15)
InChIKeyBLQYAPWAUHIDBU-UHFFFAOYSA-N
MW236.26 g/mol
LogP1.24
Rot. Bonds4

About 3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid

3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid (PubChem CID 80516563) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid
PubChem CID80516563
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC Name3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1NCc1cscn1
InChIInChI=1S/C9H8N4O2S/c14-9(15)7-1-2-12-13-8(7)10-3-6-4-16-5-11-6/h1-2,4-5H,3H2,(H,10,13)(H,14,15)
InChIKeyBLQYAPWAUHIDBU-UHFFFAOYSA-N
XLogP1.24
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid (CID 80516563) is 3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid is O=C(O)c1ccnnc1NCc1cscn1.
What is the InChIKey of 3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid?
The InChIKey is BLQYAPWAUHIDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c14-9(15)7-1-2-12-13-8(7)10-3-6-4-16-5-11-6/h1-2,4-5H,3H2,(H,10,13)(H,14,15).
What are the key properties of 3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid?
3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid has a molecular weight of 236.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80516563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).