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

C43H51N9O3S3 — CID 160784384

IUPACN-cyclobutyl-5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1nnc2sc(C(=O)NC3CCC3)c(C)c2c1C.Cc1nnc2sc(C(=O)NC3CCC3)c(C3CC3)c2c1C.Cc1nnc2sc(C(=O)NC3CCC3)cc2c1C
InChIInChI=1S/C16H19N3OS.C14H17N3OS.C13H15N3OS/c1-8-9(2)18-19-16-12(8)13(10-6-7-10)14(21-16)15(20)17-11-4-3-5-11;1-7-9(3)16-17-14-11(7)8(2)12(19-14)13(18)15-10-5-4-6-10;1-7-8(2)15-16-13-10(7)6-11(18-13)12(17)14-9-4-3-5-9/h10-11H,3-7H2,1-2H3,(H,17,20);10H,4-6H2,1-3H3,(H,15,18);6,9H,3-5H2,1-2H3,(H,14,17)
InChIKeySAZYSGBUUPFLQE-UHFFFAOYSA-N
MW838.14 g/mol
LogP8.96
Rot. Bonds7

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

N-cyclobutyl-5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 160784384) has the molecular formula C43H51N9O3S3 and a molecular weight of 838.14 g/mol. Its IUPAC name is N-cyclobutyl-5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID160784384
Molecular FormulaC43H51N9O3S3
Molecular Weight838.14 g/mol
Exact Mass837.33
IUPAC NameN-cyclobutyl-5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1nnc2sc(C(=O)NC3CCC3)c(C)c2c1C.Cc1nnc2sc(C(=O)NC3CCC3)c(C3CC3)c2c1C.Cc1nnc2sc(C(=O)NC3CCC3)cc2c1C
InChIInChI=1S/C16H19N3OS.C14H17N3OS.C13H15N3OS/c1-8-9(2)18-19-16-12(8)13(10-6-7-10)14(21-16)15(20)17-11-4-3-5-11;1-7-9(3)16-17-14-11(7)8(2)12(19-14)13(18)15-10-5-4-6-10;1-7-8(2)15-16-13-10(7)6-11(18-13)12(17)14-9-4-3-5-9/h10-11H,3-7H2,1-2H3,(H,17,20);10H,4-6H2,1-3H3,(H,15,18);6,9H,3-5H2,1-2H3,(H,14,17)
InChIKeySAZYSGBUUPFLQE-UHFFFAOYSA-N
XLogP8.96
TPSA164.64 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500838.14
LogP ≤ 58.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of N-cyclobutyl-5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 160784384) is N-cyclobutyl-5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for N-cyclobutyl-5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide is Cc1nnc2sc(C(=O)NC3CCC3)c(C)c2c1C.Cc1nnc2sc(C(=O)NC3CCC3)c(C3CC3)c2c1C.Cc1nnc2sc(C(=O)NC3CCC3)cc2c1C.
What is the InChIKey of N-cyclobutyl-5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is SAZYSGBUUPFLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS.C14H17N3OS.C13H15N3OS/c1-8-9(2)18-19-16-12(8)13(10-6-7-10)14(21-16)15(20)17-11-4-3-5-11;1-7-9(3)16-17-14-11(7)8(2)12(19-14)13(18)15-10-5-4-6-10;1-7-8(2)15-16-13-10(7)6-11(18-13)12(17)14-9-4-3-5-9/h10-11H,3-7H2,1-2H3,(H,17,20);10H,4-6H2,1-3H3,(H,15,18);6,9H,3-5H2,1-2H3,(H,14,17).
What are the key properties of N-cyclobutyl-5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide?
N-cyclobutyl-5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 838.14 g/mol, XLogP of 8.96, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 160784384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).