3-methyl-6-phenyl-2H-tetrazine

C9H10N4 — CID 171383563

IUPAC3-methyl-6-phenyl-2H-tetrazine
SMILESCN1N=CC(c2ccccc2)=NN1
InChIInChI=1S/C9H10N4/c1-13-10-7-9(11-12-13)8-5-3-2-4-6-8/h2-7,12H,1H3
InChIKeyUZYGCVVSYIGIGP-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.83
Rot. Bonds1

About 3-methyl-6-phenyl-2H-tetrazine

3-methyl-6-phenyl-2H-tetrazine (PubChem CID 171383563) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 3-methyl-6-phenyl-2H-tetrazine.

Molecular Properties

Compound Name3-methyl-6-phenyl-2H-tetrazine
PubChem CID171383563
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name3-methyl-6-phenyl-2H-tetrazine
SMILESCN1N=CC(c2ccccc2)=NN1
InChIInChI=1S/C9H10N4/c1-13-10-7-9(11-12-13)8-5-3-2-4-6-8/h2-7,12H,1H3
InChIKeyUZYGCVVSYIGIGP-UHFFFAOYSA-N
XLogP0.83
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-6-phenyl-2H-tetrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-2H-tetrazine?
The IUPAC name of 3-methyl-6-phenyl-2H-tetrazine (CID 171383563) is 3-methyl-6-phenyl-2H-tetrazine.
What is the SMILES notation for 3-methyl-6-phenyl-2H-tetrazine?
The canonical SMILES for 3-methyl-6-phenyl-2H-tetrazine is CN1N=CC(c2ccccc2)=NN1.
What is the InChIKey of 3-methyl-6-phenyl-2H-tetrazine?
The InChIKey is UZYGCVVSYIGIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-13-10-7-9(11-12-13)8-5-3-2-4-6-8/h2-7,12H,1H3.
What are the key properties of 3-methyl-6-phenyl-2H-tetrazine?
3-methyl-6-phenyl-2H-tetrazine has a molecular weight of 174.21 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-2H-tetrazine is sourced from PubChem (CID 171383563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).