6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide

C13H19N3O4S — CID 167876172

IUPAC6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)CC(C)C)nnc1C1CC1
InChIInChI=1S/C13H19N3O4S/c1-8(2)7-21(18,19)16-13(17)10-6-11(20-3)12(15-14-10)9-4-5-9/h6,8-9H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyIKCPJCDTWHIKLJ-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.08
Rot. Bonds6

About 6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide

6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide (PubChem CID 167876172) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide
PubChem CID167876172
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)CC(C)C)nnc1C1CC1
InChIInChI=1S/C13H19N3O4S/c1-8(2)7-21(18,19)16-13(17)10-6-11(20-3)12(15-14-10)9-4-5-9/h6,8-9H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyIKCPJCDTWHIKLJ-UHFFFAOYSA-N
XLogP1.08
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide (CID 167876172) is 6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide is COc1cc(C(=O)NS(=O)(=O)CC(C)C)nnc1C1CC1.
What is the InChIKey of 6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide?
The InChIKey is IKCPJCDTWHIKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-8(2)7-21(18,19)16-13(17)10-6-11(20-3)12(15-14-10)9-4-5-9/h6,8-9H,4-5,7H2,1-3H3,(H,16,17).
What are the key properties of 6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide?
6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide is sourced from PubChem (CID 167876172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).