3-(3-fluoro-4-methylphenyl)-1,2,4,5-tetrazine

C9H7FN4 — CID 146637293

IUPAC3-(3-fluoro-4-methylphenyl)-1,2,4,5-tetrazine
SMILESCc1ccc(-c2nncnn2)cc1F
InChIInChI=1S/C9H7FN4/c1-6-2-3-7(4-8(6)10)9-13-11-5-12-14-9/h2-5H,1H3
InChIKeyFKAQGPGZNDPFMP-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.38
Rot. Bonds1

About 3-(3-fluoro-4-methylphenyl)-1,2,4,5-tetrazine

3-(3-fluoro-4-methylphenyl)-1,2,4,5-tetrazine (PubChem CID 146637293) has the molecular formula C9H7FN4 and a molecular weight of 190.18 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-1,2,4,5-tetrazine
PubChem CID146637293
Molecular FormulaC9H7FN4
Molecular Weight190.18 g/mol
Exact Mass190.07
IUPAC Name3-(3-fluoro-4-methylphenyl)-1,2,4,5-tetrazine
SMILESCc1ccc(-c2nncnn2)cc1F
InChIInChI=1S/C9H7FN4/c1-6-2-3-7(4-8(6)10)9-13-11-5-12-14-9/h2-5H,1H3
InChIKeyFKAQGPGZNDPFMP-UHFFFAOYSA-N
XLogP1.38
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-1,2,4,5-tetrazine?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-1,2,4,5-tetrazine (CID 146637293) is 3-(3-fluoro-4-methylphenyl)-1,2,4,5-tetrazine.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-1,2,4,5-tetrazine?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-1,2,4,5-tetrazine is Cc1ccc(-c2nncnn2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-1,2,4,5-tetrazine?
The InChIKey is FKAQGPGZNDPFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4/c1-6-2-3-7(4-8(6)10)9-13-11-5-12-14-9/h2-5H,1H3.
What are the key properties of 3-(3-fluoro-4-methylphenyl)-1,2,4,5-tetrazine?
3-(3-fluoro-4-methylphenyl)-1,2,4,5-tetrazine has a molecular weight of 190.18 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-1,2,4,5-tetrazine is sourced from PubChem (CID 146637293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).