7-methylthieno[3,4-c]pyridine-1,3-diamine

C8H9N3S — CID 45077087

IUPAC7-methylthieno[3,4-c]pyridine-1,3-diamine
SMILESCc1cncc2c(N)sc(N)c12
InChIInChI=1S/C8H9N3S/c1-4-2-11-3-5-6(4)8(10)12-7(5)9/h2-3H,9-10H2,1H3
InChIKeyWKOLEKBUXHRZEG-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.77
Rot. Bonds

About 7-methylthieno[3,4-c]pyridine-1,3-diamine

7-methylthieno[3,4-c]pyridine-1,3-diamine (PubChem CID 45077087) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 7-methylthieno[3,4-c]pyridine-1,3-diamine.

Molecular Properties

Compound Name7-methylthieno[3,4-c]pyridine-1,3-diamine
PubChem CID45077087
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name7-methylthieno[3,4-c]pyridine-1,3-diamine
SMILESCc1cncc2c(N)sc(N)c12
InChIInChI=1S/C8H9N3S/c1-4-2-11-3-5-6(4)8(10)12-7(5)9/h2-3H,9-10H2,1H3
InChIKeyWKOLEKBUXHRZEG-UHFFFAOYSA-N
XLogP1.77
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methylthieno[3,4-c]pyridine-1,3-diamine?
The IUPAC name of 7-methylthieno[3,4-c]pyridine-1,3-diamine (CID 45077087) is 7-methylthieno[3,4-c]pyridine-1,3-diamine.
What is the SMILES notation for 7-methylthieno[3,4-c]pyridine-1,3-diamine?
The canonical SMILES for 7-methylthieno[3,4-c]pyridine-1,3-diamine is Cc1cncc2c(N)sc(N)c12.
What is the InChIKey of 7-methylthieno[3,4-c]pyridine-1,3-diamine?
The InChIKey is WKOLEKBUXHRZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-4-2-11-3-5-6(4)8(10)12-7(5)9/h2-3H,9-10H2,1H3.
What are the key properties of 7-methylthieno[3,4-c]pyridine-1,3-diamine?
7-methylthieno[3,4-c]pyridine-1,3-diamine has a molecular weight of 179.25 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylthieno[3,4-c]pyridine-1,3-diamine is sourced from PubChem (CID 45077087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).