3-(difluoromethyl)-6-methyl-1,2,4,5-tetrazine

C4H4F2N4 — CID 139269994

IUPAC3-(difluoromethyl)-6-methyl-1,2,4,5-tetrazine
SMILESCc1nnc(C(F)F)nn1
InChIInChI=1S/C4H4F2N4/c1-2-7-9-4(3(5)6)10-8-2/h3H,1H3
InChIKeyRHGYTECZWCOTEU-UHFFFAOYSA-N
MW146.10 g/mol
LogP0.51
Rot. Bonds1

About 3-(difluoromethyl)-6-methyl-1,2,4,5-tetrazine

3-(difluoromethyl)-6-methyl-1,2,4,5-tetrazine (PubChem CID 139269994) has the molecular formula C4H4F2N4 and a molecular weight of 146.10 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-methyl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-methyl-1,2,4,5-tetrazine
PubChem CID139269994
Molecular FormulaC4H4F2N4
Molecular Weight146.10 g/mol
Exact Mass146.04
IUPAC Name3-(difluoromethyl)-6-methyl-1,2,4,5-tetrazine
SMILESCc1nnc(C(F)F)nn1
InChIInChI=1S/C4H4F2N4/c1-2-7-9-4(3(5)6)10-8-2/h3H,1H3
InChIKeyRHGYTECZWCOTEU-UHFFFAOYSA-N
XLogP0.51
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(difluoromethyl)-6-methyl-1,2,4,5-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-(difluoromethyl)-6-methyl-1,2,4,5-tetrazine?
The IUPAC name of 3-(difluoromethyl)-6-methyl-1,2,4,5-tetrazine (CID 139269994) is 3-(difluoromethyl)-6-methyl-1,2,4,5-tetrazine.
What is the SMILES notation for 3-(difluoromethyl)-6-methyl-1,2,4,5-tetrazine?
The canonical SMILES for 3-(difluoromethyl)-6-methyl-1,2,4,5-tetrazine is Cc1nnc(C(F)F)nn1.
What is the InChIKey of 3-(difluoromethyl)-6-methyl-1,2,4,5-tetrazine?
The InChIKey is RHGYTECZWCOTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N4/c1-2-7-9-4(3(5)6)10-8-2/h3H,1H3.
What are the key properties of 3-(difluoromethyl)-6-methyl-1,2,4,5-tetrazine?
3-(difluoromethyl)-6-methyl-1,2,4,5-tetrazine has a molecular weight of 146.10 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-methyl-1,2,4,5-tetrazine is sourced from PubChem (CID 139269994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).