5-amino-3-cyclohexyl-1-methylthieno[3,4-d]pyridazin-4-one

C13H17N3OS — CID 70696773

IUPAC5-amino-3-cyclohexyl-1-methylthieno[3,4-d]pyridazin-4-one
SMILESCc1nn(C2CCCCC2)c(=O)c2c(N)scc12
InChIInChI=1S/C13H17N3OS/c1-8-10-7-18-12(14)11(10)13(17)16(15-8)9-5-3-2-4-6-9/h7,9H,2-6,14H2,1H3
InChIKeyINMFPTYZFZEZMM-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.85
Rot. Bonds1

About 5-amino-3-cyclohexyl-1-methylthieno[3,4-d]pyridazin-4-one

5-amino-3-cyclohexyl-1-methylthieno[3,4-d]pyridazin-4-one (PubChem CID 70696773) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-amino-3-cyclohexyl-1-methylthieno[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name5-amino-3-cyclohexyl-1-methylthieno[3,4-d]pyridazin-4-one
PubChem CID70696773
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-amino-3-cyclohexyl-1-methylthieno[3,4-d]pyridazin-4-one
SMILESCc1nn(C2CCCCC2)c(=O)c2c(N)scc12
InChIInChI=1S/C13H17N3OS/c1-8-10-7-18-12(14)11(10)13(17)16(15-8)9-5-3-2-4-6-9/h7,9H,2-6,14H2,1H3
InChIKeyINMFPTYZFZEZMM-UHFFFAOYSA-N
XLogP2.85
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-4-methyl-2H-thieno[3,4-d]pyridazin-1-one
CID 70682116
5-Amino-1-methyl-3-(2,2,2-trifluoroethyl)thieno[3,4-d]pyridazin-4-one
CID 70682117
5-Amino-1,3-dimethylthieno[3,4-d]pyridazin-4-one
CID 70686375
5-Amino-3-benzyl-1-methylthieno[3,4-d]pyridazin-4-one
CID 70696774
5-Amino-1-methyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one
CID 70692684
5-Amino-1-phenyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one
CID 70696775
2-[amino-[(Z)-2-amino-2-[5-amino-3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-4-oxothieno[3,4-d]pyridazin-1-yl]ethenyl]amino]ethyl thiohypofluorite
CID 145594939
Ethyl 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetate
CID 10220997
5-Tert-butyl-3-propan-2-ylthieno[2,3-d]triazin-4-one
CID 145752297
2-(5-Amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetic acid
CID 22112772

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-cyclohexyl-1-methylthieno[3,4-d]pyridazin-4-one?
The IUPAC name of 5-amino-3-cyclohexyl-1-methylthieno[3,4-d]pyridazin-4-one (CID 70696773) is 5-amino-3-cyclohexyl-1-methylthieno[3,4-d]pyridazin-4-one.
What is the SMILES notation for 5-amino-3-cyclohexyl-1-methylthieno[3,4-d]pyridazin-4-one?
The canonical SMILES for 5-amino-3-cyclohexyl-1-methylthieno[3,4-d]pyridazin-4-one is Cc1nn(C2CCCCC2)c(=O)c2c(N)scc12.
What is the InChIKey of 5-amino-3-cyclohexyl-1-methylthieno[3,4-d]pyridazin-4-one?
The InChIKey is INMFPTYZFZEZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8-10-7-18-12(14)11(10)13(17)16(15-8)9-5-3-2-4-6-9/h7,9H,2-6,14H2,1H3.
What are the key properties of 5-amino-3-cyclohexyl-1-methylthieno[3,4-d]pyridazin-4-one?
5-amino-3-cyclohexyl-1-methylthieno[3,4-d]pyridazin-4-one has a molecular weight of 263.37 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyclohexyl-1-methylthieno[3,4-d]pyridazin-4-one is sourced from PubChem (CID 70696773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).