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

C12H14N4O3S — CID 81217010

IUPAC(5-aminothieno[2,3-c]pyridazin-6-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESNc1c(C(=O)N2CCOC(CO)C2)sc2nnccc12
InChIInChI=1S/C12H14N4O3S/c13-9-8-1-2-14-15-11(8)20-10(9)12(18)16-3-4-19-7(5-16)6-17/h1-2,7,17H,3-6,13H2
InChIKeyKEAAWERIEHYTPQ-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.11
Rot. Bonds2

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

(5-aminothieno[2,3-c]pyridazin-6-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 81217010) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is (5-aminothieno[2,3-c]pyridazin-6-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-aminothieno[2,3-c]pyridazin-6-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID81217010
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name(5-aminothieno[2,3-c]pyridazin-6-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESNc1c(C(=O)N2CCOC(CO)C2)sc2nnccc12
InChIInChI=1S/C12H14N4O3S/c13-9-8-1-2-14-15-11(8)20-10(9)12(18)16-3-4-19-7(5-16)6-17/h1-2,7,17H,3-6,13H2
InChIKeyKEAAWERIEHYTPQ-UHFFFAOYSA-N
XLogP0.11
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(5-aminothieno[2,3-c]pyridazin-6-yl)-morpholin-4-ylmethanone
CID 80518433
(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone
CID 80518435
(5-aminothieno[2,3-c]pyridazin-6-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 80517277
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208761
[2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81208376
[2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 113277915
(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107396067
[2-(hydroxymethyl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103804091
[2-(hydroxymethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81442526
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205766
(2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81213722
(3-chloro-4-methylthiophen-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103403243

Frequently Asked Questions

What is the IUPAC name of (5-aminothieno[2,3-c]pyridazin-6-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (5-aminothieno[2,3-c]pyridazin-6-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 81217010) is (5-aminothieno[2,3-c]pyridazin-6-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-aminothieno[2,3-c]pyridazin-6-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (5-aminothieno[2,3-c]pyridazin-6-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is Nc1c(C(=O)N2CCOC(CO)C2)sc2nnccc12.
What is the InChIKey of (5-aminothieno[2,3-c]pyridazin-6-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is KEAAWERIEHYTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c13-9-8-1-2-14-15-11(8)20-10(9)12(18)16-3-4-19-7(5-16)6-17/h1-2,7,17H,3-6,13H2.
What are the key properties of (5-aminothieno[2,3-c]pyridazin-6-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(5-aminothieno[2,3-c]pyridazin-6-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 294.34 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminothieno[2,3-c]pyridazin-6-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81217010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).