ethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine

C17H17FN4 — CID 145320896

IUPACethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine
SMILESCC.Cc1ccccc1-c1nnc(-c2ccccc2F)nn1
InChIInChI=1S/C15H11FN4.C2H6/c1-10-6-2-3-7-11(10)14-17-19-15(20-18-14)12-8-4-5-9-13(12)16;1-2/h2-9H,1H3;1-2H3
InChIKeyQIFBGCROIZZLHW-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.07
Rot. Bonds2

About ethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine

ethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine (PubChem CID 145320896) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is ethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Nameethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine
PubChem CID145320896
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Nameethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine
SMILESCC.Cc1ccccc1-c1nnc(-c2ccccc2F)nn1
InChIInChI=1S/C15H11FN4.C2H6/c1-10-6-2-3-7-11(10)14-17-19-15(20-18-14)12-8-4-5-9-13(12)16;1-2/h2-9H,1H3;1-2H3
InChIKeyQIFBGCROIZZLHW-UHFFFAOYSA-N
XLogP4.07
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane
CID 145320903
3,6-bis(2-fluoro-6-methylphenyl)-1,2,4,5-tetrazine
CID 129205135
2-(2-fluorophenyl)-1,3-dimethylbenzene
CID 22075461
ethane;1-fluoro-2-methylbenzene;methane
CID 143320188
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
3-(2-fluorophenyl)-4-methylpyridine
CID 46313062
acetylene;ethane;1-fluoro-2-methylbenzene
CID 145259299
2-fluoro-6-(2-methylphenyl)phenol
CID 171109405
4-fluoro-2-(2-fluorophenyl)-1-methylbenzene
CID 46313938
2-(2-fluorophenyl)-1,4-dimethylbenzene
CID 66641436
4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline
CID 114590256
2-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine
CID 15957270

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine?
The IUPAC name of ethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine (CID 145320896) is ethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine.
What is the SMILES notation for ethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine?
The canonical SMILES for ethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine is CC.Cc1ccccc1-c1nnc(-c2ccccc2F)nn1.
What is the InChIKey of ethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine?
The InChIKey is QIFBGCROIZZLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4.C2H6/c1-10-6-2-3-7-11(10)14-17-19-15(20-18-14)12-8-4-5-9-13(12)16;1-2/h2-9H,1H3;1-2H3.
What are the key properties of ethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine?
ethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine has a molecular weight of 296.35 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine is sourced from PubChem (CID 145320896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).