3-methoxythieno[3,4-b]pyridine-5,7-diamine

C8H9N3OS — CID 163198649

IUPAC3-methoxythieno[3,4-b]pyridine-5,7-diamine
SMILESCOc1cnc2c(N)sc(N)c2c1
InChIInChI=1S/C8H9N3OS/c1-12-4-2-5-6(11-3-4)8(10)13-7(5)9/h2-3H,9-10H2,1H3
InChIKeyPHBZTRYXLZVHDF-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.47
Rot. Bonds1

About 3-methoxythieno[3,4-b]pyridine-5,7-diamine

3-methoxythieno[3,4-b]pyridine-5,7-diamine (PubChem CID 163198649) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 3-methoxythieno[3,4-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name3-methoxythieno[3,4-b]pyridine-5,7-diamine
PubChem CID163198649
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name3-methoxythieno[3,4-b]pyridine-5,7-diamine
SMILESCOc1cnc2c(N)sc(N)c2c1
InChIInChI=1S/C8H9N3OS/c1-12-4-2-5-6(11-3-4)8(10)13-7(5)9/h2-3H,9-10H2,1H3
InChIKeyPHBZTRYXLZVHDF-UHFFFAOYSA-N
XLogP1.47
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxythieno[3,4-b]pyridine-5,7-diamine?
The IUPAC name of 3-methoxythieno[3,4-b]pyridine-5,7-diamine (CID 163198649) is 3-methoxythieno[3,4-b]pyridine-5,7-diamine.
What is the SMILES notation for 3-methoxythieno[3,4-b]pyridine-5,7-diamine?
The canonical SMILES for 3-methoxythieno[3,4-b]pyridine-5,7-diamine is COc1cnc2c(N)sc(N)c2c1.
What is the InChIKey of 3-methoxythieno[3,4-b]pyridine-5,7-diamine?
The InChIKey is PHBZTRYXLZVHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-12-4-2-5-6(11-3-4)8(10)13-7(5)9/h2-3H,9-10H2,1H3.
What are the key properties of 3-methoxythieno[3,4-b]pyridine-5,7-diamine?
3-methoxythieno[3,4-b]pyridine-5,7-diamine has a molecular weight of 195.25 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxythieno[3,4-b]pyridine-5,7-diamine is sourced from PubChem (CID 163198649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).