N-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide

C11H9N7OS — CID 71805184

IUPACN-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESCc1cnc(NC(=O)c2ccc(-n3cncn3)nn2)s1
InChIInChI=1S/C11H9N7OS/c1-7-4-13-11(20-7)15-10(19)8-2-3-9(17-16-8)18-6-12-5-14-18/h2-6H,1H3,(H,13,15,19)
InChIKeyMBLGAOHYOFNMBK-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.07
Rot. Bonds3

About N-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (PubChem CID 71805184) has the molecular formula C11H9N7OS and a molecular weight of 287.31 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
PubChem CID71805184
Molecular FormulaC11H9N7OS
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESCc1cnc(NC(=O)c2ccc(-n3cncn3)nn2)s1
InChIInChI=1S/C11H9N7OS/c1-7-4-13-11(20-7)15-10(19)8-2-3-9(17-16-8)18-6-12-5-14-18/h2-6H,1H3,(H,13,15,19)
InChIKeyMBLGAOHYOFNMBK-UHFFFAOYSA-N
XLogP1.07
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-chloro-4-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805115
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805108
N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805109
N-(6-oxo-1,7-dihydropurin-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 136775531
N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805129
1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 167906110
5-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole
CID 58458813
N-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805133
N-(9H-fluoren-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805137
N-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 122262082
1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 19580079
[(2S)-2-methylpiperidin-1-yl]-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]methanone
CID 97414830

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (CID 71805184) is N-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is Cc1cnc(NC(=O)c2ccc(-n3cncn3)nn2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The InChIKey is MBLGAOHYOFNMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7OS/c1-7-4-13-11(20-7)15-10(19)8-2-3-9(17-16-8)18-6-12-5-14-18/h2-6H,1H3,(H,13,15,19).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide has a molecular weight of 287.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 71805184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).