3-methyl-6-phenyl-1,2,4,5-tetrazine

C9H8N4 — CID 750329

IUPAC3-methyl-6-phenyl-1,2,4,5-tetrazine
SMILESCc1nnc(-c2ccccc2)nn1
InChIInChI=1S/C9H8N4/c1-7-10-12-9(13-11-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyRIEDBFFMXQWXTM-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.24
Rot. Bonds1

About 3-methyl-6-phenyl-1,2,4,5-tetrazine

3-methyl-6-phenyl-1,2,4,5-tetrazine (PubChem CID 750329) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 3-methyl-6-phenyl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-methyl-6-phenyl-1,2,4,5-tetrazine
PubChem CID750329
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name3-methyl-6-phenyl-1,2,4,5-tetrazine
SMILESCc1nnc(-c2ccccc2)nn1
InChIInChI=1S/C9H8N4/c1-7-10-12-9(13-11-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyRIEDBFFMXQWXTM-UHFFFAOYSA-N
XLogP1.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-1,2,4,5-tetrazine?
The IUPAC name of 3-methyl-6-phenyl-1,2,4,5-tetrazine (CID 750329) is 3-methyl-6-phenyl-1,2,4,5-tetrazine.
What is the SMILES notation for 3-methyl-6-phenyl-1,2,4,5-tetrazine?
The canonical SMILES for 3-methyl-6-phenyl-1,2,4,5-tetrazine is Cc1nnc(-c2ccccc2)nn1.
What is the InChIKey of 3-methyl-6-phenyl-1,2,4,5-tetrazine?
The InChIKey is RIEDBFFMXQWXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c1-7-10-12-9(13-11-7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 3-methyl-6-phenyl-1,2,4,5-tetrazine?
3-methyl-6-phenyl-1,2,4,5-tetrazine has a molecular weight of 172.19 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-1,2,4,5-tetrazine is sourced from PubChem (CID 750329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).