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

C15H17N5OS — CID 123500232

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyridin-2-ylmethylamino)methanol
SMILESCc1nnc2sc(C(O)NCc3ccccn3)c(N)c2c1C
InChIInChI=1S/C15H17N5OS/c1-8-9(2)19-20-15-11(8)12(16)13(22-15)14(21)18-7-10-5-3-4-6-17-10/h3-6,14,18,21H,7,16H2,1-2H3
InChIKeyDDEUDTJTNPOBON-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.07
Rot. Bonds4

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

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyridin-2-ylmethylamino)methanol (PubChem CID 123500232) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyridin-2-ylmethylamino)methanol.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyridin-2-ylmethylamino)methanol
PubChem CID123500232
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyridin-2-ylmethylamino)methanol
SMILESCc1nnc2sc(C(O)NCc3ccccn3)c(N)c2c1C
InChIInChI=1S/C15H17N5OS/c1-8-9(2)19-20-15-11(8)12(16)13(22-15)14(21)18-7-10-5-3-4-6-17-10/h3-6,14,18,21H,7,16H2,1-2H3
InChIKeyDDEUDTJTNPOBON-UHFFFAOYSA-N
XLogP2.07
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyridin-2-ylmethylamino)methanol?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyridin-2-ylmethylamino)methanol (CID 123500232) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyridin-2-ylmethylamino)methanol.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyridin-2-ylmethylamino)methanol?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyridin-2-ylmethylamino)methanol is Cc1nnc2sc(C(O)NCc3ccccn3)c(N)c2c1C.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyridin-2-ylmethylamino)methanol?
The InChIKey is DDEUDTJTNPOBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-8-9(2)19-20-15-11(8)12(16)13(22-15)14(21)18-7-10-5-3-4-6-17-10/h3-6,14,18,21H,7,16H2,1-2H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyridin-2-ylmethylamino)methanol?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyridin-2-ylmethylamino)methanol has a molecular weight of 315.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyridin-2-ylmethylamino)methanol is sourced from PubChem (CID 123500232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).