[(1-pyridin-3-ylazetidin-3-yl)amino]-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol

C18H21N5OS — CID 123252767

IUPAC[(1-pyridin-3-ylazetidin-3-yl)amino]-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol
SMILESCc1nnc2sc(C(O)NC3CN(c4cccnc4)C3)c(C)c2c1C
InChIInChI=1S/C18H21N5OS/c1-10-12(3)21-22-18-15(10)11(2)16(25-18)17(24)20-13-8-23(9-13)14-5-4-6-19-7-14/h4-7,13,17,20,24H,8-9H2,1-3H3
InChIKeyWCNRAUSTUMRINZ-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.48
Rot. Bonds4

About [(1-pyridin-3-ylazetidin-3-yl)amino]-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol

[(1-pyridin-3-ylazetidin-3-yl)amino]-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol (PubChem CID 123252767) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is [(1-pyridin-3-ylazetidin-3-yl)amino]-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol.

Molecular Properties

Compound Name[(1-pyridin-3-ylazetidin-3-yl)amino]-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol
PubChem CID123252767
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name[(1-pyridin-3-ylazetidin-3-yl)amino]-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol
SMILESCc1nnc2sc(C(O)NC3CN(c4cccnc4)C3)c(C)c2c1C
InChIInChI=1S/C18H21N5OS/c1-10-12(3)21-22-18-15(10)11(2)16(25-18)17(24)20-13-8-23(9-13)14-5-4-6-19-7-14/h4-7,13,17,20,24H,8-9H2,1-3H3
InChIKeyWCNRAUSTUMRINZ-UHFFFAOYSA-N
XLogP2.48
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(1-pyridin-3-ylazetidin-3-yl)amino]-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1-pyridin-3-ylazetidin-3-yl)amino]-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol?
The IUPAC name of [(1-pyridin-3-ylazetidin-3-yl)amino]-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol (CID 123252767) is [(1-pyridin-3-ylazetidin-3-yl)amino]-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol.
What is the SMILES notation for [(1-pyridin-3-ylazetidin-3-yl)amino]-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol?
The canonical SMILES for [(1-pyridin-3-ylazetidin-3-yl)amino]-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol is Cc1nnc2sc(C(O)NC3CN(c4cccnc4)C3)c(C)c2c1C.
What is the InChIKey of [(1-pyridin-3-ylazetidin-3-yl)amino]-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol?
The InChIKey is WCNRAUSTUMRINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-10-12(3)21-22-18-15(10)11(2)16(25-18)17(24)20-13-8-23(9-13)14-5-4-6-19-7-14/h4-7,13,17,20,24H,8-9H2,1-3H3.
What are the key properties of [(1-pyridin-3-ylazetidin-3-yl)amino]-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol?
[(1-pyridin-3-ylazetidin-3-yl)amino]-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol has a molecular weight of 355.47 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-pyridin-3-ylazetidin-3-yl)amino]-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol is sourced from PubChem (CID 123252767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).