7-thia-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene

C6H3N3S — CID 164898863

IUPAC7-thia-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene
SMILESc1cc2c3nnn(c3c1)S2
InChIInChI=1S/C6H3N3S/c1-2-4-6-5(3-1)10-9(4)8-7-6/h1-3H
InChIKeyIYDIMIBNTLYOKI-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.30
Rot. Bonds

About 7-thia-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene

7-thia-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene (PubChem CID 164898863) has the molecular formula C6H3N3S and a molecular weight of 149.18 g/mol. Its IUPAC name is 7-thia-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene.

Molecular Properties

Compound Name7-thia-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene
PubChem CID164898863
Molecular FormulaC6H3N3S
Molecular Weight149.18 g/mol
Exact Mass149.00
IUPAC Name7-thia-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene
SMILESc1cc2c3nnn(c3c1)S2
InChIInChI=1S/C6H3N3S/c1-2-4-6-5(3-1)10-9(4)8-7-6/h1-3H
InChIKeyIYDIMIBNTLYOKI-UHFFFAOYSA-N
XLogP1.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-thia-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene?
The IUPAC name of 7-thia-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene (CID 164898863) is 7-thia-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene.
What is the SMILES notation for 7-thia-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene?
The canonical SMILES for 7-thia-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene is c1cc2c3nnn(c3c1)S2.
What is the InChIKey of 7-thia-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene?
The InChIKey is IYDIMIBNTLYOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3S/c1-2-4-6-5(3-1)10-9(4)8-7-6/h1-3H.
What are the key properties of 7-thia-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene?
7-thia-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene has a molecular weight of 149.18 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thia-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene is sourced from PubChem (CID 164898863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).