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

C15H15N3OS — CID 155552902

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-phenylmethanol
SMILESCc1nnc2sc(C(O)c3ccccc3)c(N)c2c1C
InChIInChI=1S/C15H15N3OS/c1-8-9(2)17-18-15-11(8)12(16)14(20-15)13(19)10-6-4-3-5-7-10/h3-7,13,19H,16H2,1-2H3
InChIKeyJYTHBEICVWQRRT-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.97
Rot. Bonds2

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

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-phenylmethanol (PubChem CID 155552902) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-phenylmethanol.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-phenylmethanol
PubChem CID155552902
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-phenylmethanol
SMILESCc1nnc2sc(C(O)c3ccccc3)c(N)c2c1C
InChIInChI=1S/C15H15N3OS/c1-8-9(2)17-18-15-11(8)12(16)14(20-15)13(19)10-6-4-3-5-7-10/h3-7,13,19H,16H2,1-2H3
InChIKeyJYTHBEICVWQRRT-UHFFFAOYSA-N
XLogP2.97
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-phenylmethanol?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-phenylmethanol (CID 155552902) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-phenylmethanol.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-phenylmethanol?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-phenylmethanol is Cc1nnc2sc(C(O)c3ccccc3)c(N)c2c1C.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-phenylmethanol?
The InChIKey is JYTHBEICVWQRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-8-9(2)17-18-15-11(8)12(16)14(20-15)13(19)10-6-4-3-5-7-10/h3-7,13,19H,16H2,1-2H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-phenylmethanol?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-phenylmethanol has a molecular weight of 285.37 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-phenylmethanol is sourced from PubChem (CID 155552902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).