(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-3-ylmethanone

C14H12N4OS — CID 155539719

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-3-ylmethanone
SMILESCc1nnc2sc(C(=O)c3cccnc3)c(N)c2c1C
InChIInChI=1S/C14H12N4OS/c1-7-8(2)17-18-14-10(7)11(15)13(20-14)12(19)9-4-3-5-16-6-9/h3-6H,15H2,1-2H3
InChIKeyHEXZKJWDFXGVKQ-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.52
Rot. Bonds2

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-3-ylmethanone

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-3-ylmethanone (PubChem CID 155539719) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-3-ylmethanone
PubChem CID155539719
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-3-ylmethanone
SMILESCc1nnc2sc(C(=O)c3cccnc3)c(N)c2c1C
InChIInChI=1S/C14H12N4OS/c1-7-8(2)17-18-14-10(7)11(15)13(20-14)12(19)9-4-3-5-16-6-9/h3-6H,15H2,1-2H3
InChIKeyHEXZKJWDFXGVKQ-UHFFFAOYSA-N
XLogP2.52
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-phenylmethanone
CID 123705063
5-amino-N',N',3,4-tetramethylthieno[2,3-c]pyridazine-6-carbohydrazide
CID 83025023
(4-amino-3-methylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone
CID 1480855
3,6-diamino-2-benzoyl-4-methylthieno[2,3-b]pyridine-5-carbonitrile
CID 3366201
5-amino-3,4-dimethyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 134502874
5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 107323862
5-amino-N,3,4-trimethyl-N-(2-methylsulfanylethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 115988062
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 115366292
5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(cyclopropylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide
CID 160823722
CID 175154223
CID 175154223
methane;pyridine-3-carboxamide
CID 19390506
benzene;pyridine-3-carboxamide
CID 66766032

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-3-ylmethanone?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-3-ylmethanone (CID 155539719) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-3-ylmethanone is Cc1nnc2sc(C(=O)c3cccnc3)c(N)c2c1C.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-3-ylmethanone?
The InChIKey is HEXZKJWDFXGVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-7-8(2)17-18-14-10(7)11(15)13(20-14)12(19)9-4-3-5-16-6-9/h3-6H,15H2,1-2H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-3-ylmethanone?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-3-ylmethanone has a molecular weight of 284.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 155539719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).