6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-3-carboxamide

C11H14N6O2S — CID 90509395

IUPAC6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCSc2nncn2C)nn1
InChIInChI=1S/C11H14N6O2S/c1-17-7-13-16-11(17)20-6-5-12-10(18)8-3-4-9(19-2)15-14-8/h3-4,7H,5-6H2,1-2H3,(H,12,18)
InChIKeyZXBBRYGTKWQVPP-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.14
Rot. Bonds6

About 6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-3-carboxamide

6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-3-carboxamide (PubChem CID 90509395) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-3-carboxamide
PubChem CID90509395
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC Name6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCSc2nncn2C)nn1
InChIInChI=1S/C11H14N6O2S/c1-17-7-13-16-11(17)20-6-5-12-10(18)8-3-4-9(19-2)15-14-8/h3-4,7H,5-6H2,1-2H3,(H,12,18)
InChIKeyZXBBRYGTKWQVPP-UHFFFAOYSA-N
XLogP0.14
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-3-carboxamide (CID 90509395) is 6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-3-carboxamide is COc1ccc(C(=O)NCCSc2nncn2C)nn1.
What is the InChIKey of 6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-3-carboxamide?
The InChIKey is ZXBBRYGTKWQVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-17-7-13-16-11(17)20-6-5-12-10(18)8-3-4-9(19-2)15-14-8/h3-4,7H,5-6H2,1-2H3,(H,12,18).
What are the key properties of 6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-3-carboxamide?
6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-3-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 90509395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).