5-(3H-inden-4-yl)tetrazine

C11H8N4 — CID 175334412

IUPAC5-(3H-inden-4-yl)tetrazine
SMILESC1=Cc2cccc(-c3cnnnn3)c2C1
InChIInChI=1S/C11H8N4/c1-3-8-4-2-6-10(9(8)5-1)11-7-12-14-15-13-11/h1-4,6-7H,5H2
InChIKeyJHFVUSBCEIPEGW-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.50
Rot. Bonds1

About 5-(3H-inden-4-yl)tetrazine

5-(3H-inden-4-yl)tetrazine (PubChem CID 175334412) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-(3H-inden-4-yl)tetrazine.

Molecular Properties

Compound Name5-(3H-inden-4-yl)tetrazine
PubChem CID175334412
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name5-(3H-inden-4-yl)tetrazine
SMILESC1=Cc2cccc(-c3cnnnn3)c2C1
InChIInChI=1S/C11H8N4/c1-3-8-4-2-6-10(9(8)5-1)11-7-12-14-15-13-11/h1-4,6-7H,5H2
InChIKeyJHFVUSBCEIPEGW-UHFFFAOYSA-N
XLogP1.50
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3H-inden-4-yl)tetrazine?
The IUPAC name of 5-(3H-inden-4-yl)tetrazine (CID 175334412) is 5-(3H-inden-4-yl)tetrazine.
What is the SMILES notation for 5-(3H-inden-4-yl)tetrazine?
The canonical SMILES for 5-(3H-inden-4-yl)tetrazine is C1=Cc2cccc(-c3cnnnn3)c2C1.
What is the InChIKey of 5-(3H-inden-4-yl)tetrazine?
The InChIKey is JHFVUSBCEIPEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c1-3-8-4-2-6-10(9(8)5-1)11-7-12-14-15-13-11/h1-4,6-7H,5H2.
What are the key properties of 5-(3H-inden-4-yl)tetrazine?
5-(3H-inden-4-yl)tetrazine has a molecular weight of 196.21 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-inden-4-yl)tetrazine is sourced from PubChem (CID 175334412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).