5-(1,3,5-triazin-2-yl)tetrazine

C5H3N7 — CID 54349405

IUPAC5-(1,3,5-triazin-2-yl)tetrazine
SMILESc1ncnc(-c2cnnnn2)n1
InChIInChI=1S/C5H3N7/c1-4(10-12-11-9-1)5-7-2-6-3-8-5/h1-3H
InChIKeyDBOFQYNNLQSDCJ-UHFFFAOYSA-N
MW161.13 g/mol
LogP-0.88
Rot. Bonds1

About 5-(1,3,5-triazin-2-yl)tetrazine

5-(1,3,5-triazin-2-yl)tetrazine (PubChem CID 54349405) has the molecular formula C5H3N7 and a molecular weight of 161.13 g/mol. Its IUPAC name is 5-(1,3,5-triazin-2-yl)tetrazine.

Molecular Properties

Compound Name5-(1,3,5-triazin-2-yl)tetrazine
PubChem CID54349405
Molecular FormulaC5H3N7
Molecular Weight161.13 g/mol
Exact Mass161.04
IUPAC Name5-(1,3,5-triazin-2-yl)tetrazine
SMILESc1ncnc(-c2cnnnn2)n1
InChIInChI=1S/C5H3N7/c1-4(10-12-11-9-1)5-7-2-6-3-8-5/h1-3H
InChIKeyDBOFQYNNLQSDCJ-UHFFFAOYSA-N
XLogP-0.88
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.13
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3,5-triazin-2-yl)tetrazine?
The IUPAC name of 5-(1,3,5-triazin-2-yl)tetrazine (CID 54349405) is 5-(1,3,5-triazin-2-yl)tetrazine.
What is the SMILES notation for 5-(1,3,5-triazin-2-yl)tetrazine?
The canonical SMILES for 5-(1,3,5-triazin-2-yl)tetrazine is c1ncnc(-c2cnnnn2)n1.
What is the InChIKey of 5-(1,3,5-triazin-2-yl)tetrazine?
The InChIKey is DBOFQYNNLQSDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N7/c1-4(10-12-11-9-1)5-7-2-6-3-8-5/h1-3H.
What are the key properties of 5-(1,3,5-triazin-2-yl)tetrazine?
5-(1,3,5-triazin-2-yl)tetrazine has a molecular weight of 161.13 g/mol, XLogP of -0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,5-triazin-2-yl)tetrazine is sourced from PubChem (CID 54349405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).