(5-aminothieno[2,3-c]pyridazin-6-yl)-(4,4-dimethylazepan-1-yl)methanone

C15H20N4OS — CID 80517277

IUPAC(5-aminothieno[2,3-c]pyridazin-6-yl)-(4,4-dimethylazepan-1-yl)methanone
SMILESCC1(C)CCCN(C(=O)c2sc3nnccc3c2N)CC1
InChIInChI=1S/C15H20N4OS/c1-15(2)5-3-8-19(9-6-15)14(20)12-11(16)10-4-7-17-18-13(10)21-12/h4,7H,3,5-6,8-9,16H2,1-2H3
InChIKeyNEXRCKDMMWOCCL-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.93
Rot. Bonds1

About (5-aminothieno[2,3-c]pyridazin-6-yl)-(4,4-dimethylazepan-1-yl)methanone

(5-aminothieno[2,3-c]pyridazin-6-yl)-(4,4-dimethylazepan-1-yl)methanone (PubChem CID 80517277) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is (5-aminothieno[2,3-c]pyridazin-6-yl)-(4,4-dimethylazepan-1-yl)methanone.

Molecular Properties

Compound Name(5-aminothieno[2,3-c]pyridazin-6-yl)-(4,4-dimethylazepan-1-yl)methanone
PubChem CID80517277
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name(5-aminothieno[2,3-c]pyridazin-6-yl)-(4,4-dimethylazepan-1-yl)methanone
SMILESCC1(C)CCCN(C(=O)c2sc3nnccc3c2N)CC1
InChIInChI=1S/C15H20N4OS/c1-15(2)5-3-8-19(9-6-15)14(20)12-11(16)10-4-7-17-18-13(10)21-12/h4,7H,3,5-6,8-9,16H2,1-2H3
InChIKeyNEXRCKDMMWOCCL-UHFFFAOYSA-N
XLogP2.93
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-aminothieno[2,3-c]pyridazin-6-yl)-(4,4-dimethylazepan-1-yl)methanone?
The IUPAC name of (5-aminothieno[2,3-c]pyridazin-6-yl)-(4,4-dimethylazepan-1-yl)methanone (CID 80517277) is (5-aminothieno[2,3-c]pyridazin-6-yl)-(4,4-dimethylazepan-1-yl)methanone.
What is the SMILES notation for (5-aminothieno[2,3-c]pyridazin-6-yl)-(4,4-dimethylazepan-1-yl)methanone?
The canonical SMILES for (5-aminothieno[2,3-c]pyridazin-6-yl)-(4,4-dimethylazepan-1-yl)methanone is CC1(C)CCCN(C(=O)c2sc3nnccc3c2N)CC1.
What is the InChIKey of (5-aminothieno[2,3-c]pyridazin-6-yl)-(4,4-dimethylazepan-1-yl)methanone?
The InChIKey is NEXRCKDMMWOCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-15(2)5-3-8-19(9-6-15)14(20)12-11(16)10-4-7-17-18-13(10)21-12/h4,7H,3,5-6,8-9,16H2,1-2H3.
What are the key properties of (5-aminothieno[2,3-c]pyridazin-6-yl)-(4,4-dimethylazepan-1-yl)methanone?
(5-aminothieno[2,3-c]pyridazin-6-yl)-(4,4-dimethylazepan-1-yl)methanone has a molecular weight of 304.42 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminothieno[2,3-c]pyridazin-6-yl)-(4,4-dimethylazepan-1-yl)methanone is sourced from PubChem (CID 80517277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).