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

C14H17N3OS — CID 122414298

IUPACN-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1nnc2sc(C(=O)NC3CCC3)c(C)c2c1C
InChIInChI=1S/C14H17N3OS/c1-7-9(3)16-17-14-11(7)8(2)12(19-14)13(18)15-10-5-4-6-10/h10H,4-6H2,1-3H3,(H,15,18)
InChIKeyADINWQNKBFFMJR-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.90
Rot. Bonds2

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

N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 122414298) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID122414298
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1nnc2sc(C(=O)NC3CCC3)c(C)c2c1C
InChIInChI=1S/C14H17N3OS/c1-7-9(3)16-17-14-11(7)8(2)12(19-14)13(18)15-10-5-4-6-10/h10H,4-6H2,1-3H3,(H,15,18)
InChIKeyADINWQNKBFFMJR-UHFFFAOYSA-N
XLogP2.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 122414298) is N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide is Cc1nnc2sc(C(=O)NC3CCC3)c(C)c2c1C.
What is the InChIKey of N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is ADINWQNKBFFMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-7-9(3)16-17-14-11(7)8(2)12(19-14)13(18)15-10-5-4-6-10/h10H,4-6H2,1-3H3,(H,15,18).
What are the key properties of N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide?
N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 122414298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).