N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclopropyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide;N,5-dicyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C40H45N9O3S3 — CID 159360619

IUPACN-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclopropyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide;N,5-dicyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1nnc2sc(C(=O)NC3CC3)c(C)c2c1C.Cc1nnc2sc(C(=O)NC3CC3)c(C3CC3)c2c1C.Cc1nnc2sc(C(=O)NC3CC3)cc2c1C
InChIInChI=1S/C15H17N3OS.C13H15N3OS.C12H13N3OS/c1-7-8(2)17-18-15-11(7)12(9-3-4-9)13(20-15)14(19)16-10-5-6-10;1-6-8(3)15-16-13-10(6)7(2)11(18-13)12(17)14-9-4-5-9;1-6-7(2)14-15-12-9(6)5-10(17-12)11(16)13-8-3-4-8/h9-10H,3-6H2,1-2H3,(H,16,19);9H,4-5H2,1-3H3,(H,14,17);5,8H,3-4H2,1-2H3,(H,13,16)
InChIKeyLIMKLVMXPAGYPI-UHFFFAOYSA-N
MW796.06 g/mol
LogP7.79
Rot. Bonds7

About N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclopropyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide;N,5-dicyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclopropyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide;N,5-dicyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 159360619) has the molecular formula C40H45N9O3S3 and a molecular weight of 796.06 g/mol. Its IUPAC name is N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclopropyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide;N,5-dicyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclopropyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide;N,5-dicyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID159360619
Molecular FormulaC40H45N9O3S3
Molecular Weight796.06 g/mol
Exact Mass795.28
IUPAC NameN-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclopropyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide;N,5-dicyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1nnc2sc(C(=O)NC3CC3)c(C)c2c1C.Cc1nnc2sc(C(=O)NC3CC3)c(C3CC3)c2c1C.Cc1nnc2sc(C(=O)NC3CC3)cc2c1C
InChIInChI=1S/C15H17N3OS.C13H15N3OS.C12H13N3OS/c1-7-8(2)17-18-15-11(7)12(9-3-4-9)13(20-15)14(19)16-10-5-6-10;1-6-8(3)15-16-13-10(6)7(2)11(18-13)12(17)14-9-4-5-9;1-6-7(2)14-15-12-9(6)5-10(17-12)11(16)13-8-3-4-8/h9-10H,3-6H2,1-2H3,(H,16,19);9H,4-5H2,1-3H3,(H,14,17);5,8H,3-4H2,1-2H3,(H,13,16)
InChIKeyLIMKLVMXPAGYPI-UHFFFAOYSA-N
XLogP7.79
TPSA164.64 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500796.06
LogP ≤ 57.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclopropyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide;N,5-dicyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclopropyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide;N,5-dicyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclopropyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide;N,5-dicyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 159360619) is N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclopropyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide;N,5-dicyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclopropyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide;N,5-dicyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclopropyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide;N,5-dicyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is Cc1nnc2sc(C(=O)NC3CC3)c(C)c2c1C.Cc1nnc2sc(C(=O)NC3CC3)c(C3CC3)c2c1C.Cc1nnc2sc(C(=O)NC3CC3)cc2c1C.
What is the InChIKey of N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclopropyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide;N,5-dicyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is LIMKLVMXPAGYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS.C13H15N3OS.C12H13N3OS/c1-7-8(2)17-18-15-11(7)12(9-3-4-9)13(20-15)14(19)16-10-5-6-10;1-6-8(3)15-16-13-10(6)7(2)11(18-13)12(17)14-9-4-5-9;1-6-7(2)14-15-12-9(6)5-10(17-12)11(16)13-8-3-4-8/h9-10H,3-6H2,1-2H3,(H,16,19);9H,4-5H2,1-3H3,(H,14,17);5,8H,3-4H2,1-2H3,(H,13,16).
What are the key properties of N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclopropyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide;N,5-dicyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclopropyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide;N,5-dicyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 796.06 g/mol, XLogP of 7.79, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclopropyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide;N,5-dicyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 159360619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).