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

C14H14N4OS — CID 155520062

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-4-ylmethanol
SMILESCc1nnc2sc(C(O)c3ccncc3)c(N)c2c1C
InChIInChI=1S/C14H14N4OS/c1-7-8(2)17-18-14-10(7)11(15)13(20-14)12(19)9-3-5-16-6-4-9/h3-6,12,19H,15H2,1-2H3
InChIKeyMKIBHENDPWXMCK-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.37
Rot. Bonds2

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

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-4-ylmethanol (PubChem CID 155520062) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-4-ylmethanol.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-4-ylmethanol
PubChem CID155520062
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-4-ylmethanol
SMILESCc1nnc2sc(C(O)c3ccncc3)c(N)c2c1C
InChIInChI=1S/C14H14N4OS/c1-7-8(2)17-18-14-10(7)11(15)13(20-14)12(19)9-3-5-16-6-4-9/h3-6,12,19H,15H2,1-2H3
InChIKeyMKIBHENDPWXMCK-UHFFFAOYSA-N
XLogP2.37
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-4-ylmethanol?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-4-ylmethanol (CID 155520062) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-4-ylmethanol.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-4-ylmethanol?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-4-ylmethanol is Cc1nnc2sc(C(O)c3ccncc3)c(N)c2c1C.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-4-ylmethanol?
The InChIKey is MKIBHENDPWXMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-7-8(2)17-18-14-10(7)11(15)13(20-14)12(19)9-3-5-16-6-4-9/h3-6,12,19H,15H2,1-2H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-4-ylmethanol?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-4-ylmethanol has a molecular weight of 286.36 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-4-ylmethanol is sourced from PubChem (CID 155520062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).