6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-3-carboxylic acid

C10H10N4O2S — CID 54962806

IUPAC6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-3-carboxylic acid
SMILESCc1ncc(CNc2ccc(C(=O)O)nn2)s1
InChIInChI=1S/C10H10N4O2S/c1-6-11-4-7(17-6)5-12-9-3-2-8(10(15)16)13-14-9/h2-4H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyNAQRCPLFFQDKMW-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.55
Rot. Bonds4

About 6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-3-carboxylic acid

6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-3-carboxylic acid (PubChem CID 54962806) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-3-carboxylic acid
PubChem CID54962806
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-3-carboxylic acid
SMILESCc1ncc(CNc2ccc(C(=O)O)nn2)s1
InChIInChI=1S/C10H10N4O2S/c1-6-11-4-7(17-6)5-12-9-3-2-8(10(15)16)13-14-9/h2-4H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyNAQRCPLFFQDKMW-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-5-yl)methylamino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-3-carboxylic acid (CID 54962806) is 6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-3-carboxylic acid is Cc1ncc(CNc2ccc(C(=O)O)nn2)s1.
What is the InChIKey of 6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-3-carboxylic acid?
The InChIKey is NAQRCPLFFQDKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-6-11-4-7(17-6)5-12-9-3-2-8(10(15)16)13-14-9/h2-4H,5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-3-carboxylic acid?
6-[(2-methyl-1,3-thiazol-5-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-5-yl)methylamino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 54962806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).