3-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

C10H8N6OS — CID 146079000

IUPAC3-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESCc1nnc2ccc(C(=O)Nc3nccs3)nn12
InChIInChI=1S/C10H8N6OS/c1-6-13-14-8-3-2-7(15-16(6)8)9(17)12-10-11-4-5-18-10/h2-5H,1H3,(H,11,12,17)
InChIKeyLWJCQHHCPMOADD-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.14
Rot. Bonds2

About 3-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

3-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (PubChem CID 146079000) has the molecular formula C10H8N6OS and a molecular weight of 260.28 g/mol. Its IUPAC name is 3-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
PubChem CID146079000
Molecular FormulaC10H8N6OS
Molecular Weight260.28 g/mol
Exact Mass260.05
IUPAC Name3-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESCc1nnc2ccc(C(=O)Nc3nccs3)nn12
InChIInChI=1S/C10H8N6OS/c1-6-13-14-8-3-2-7(15-16(6)8)9(17)12-10-11-4-5-18-10/h2-5H,1H3,(H,11,12,17)
InChIKeyLWJCQHHCPMOADD-UHFFFAOYSA-N
XLogP1.14
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-hydrazinyl-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide
CID 62237920
5-(methylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 104639863
3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 146079132
2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 7190885
5-cyano-6-methyl-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 39088130
1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 43475407
1-methyl-5-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 110674204
1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 115603490
1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 52900201
1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 2999793
N-(1,3-thiazol-2-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
CID 7217655
1-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6-oxopyridazine-3-carboxamide
CID 121036797

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The IUPAC name of 3-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (CID 146079000) is 3-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The canonical SMILES for 3-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is Cc1nnc2ccc(C(=O)Nc3nccs3)nn12.
What is the InChIKey of 3-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The InChIKey is LWJCQHHCPMOADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6OS/c1-6-13-14-8-3-2-7(15-16(6)8)9(17)12-10-11-4-5-18-10/h2-5H,1H3,(H,11,12,17).
What are the key properties of 3-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
3-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide has a molecular weight of 260.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is sourced from PubChem (CID 146079000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).