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

C9H7FN4O — CID 146637927

IUPAC3-(3-fluoro-5-methoxyphenyl)-1,2,4,5-tetrazine
SMILESCOc1cc(F)cc(-c2nncnn2)c1
InChIInChI=1S/C9H7FN4O/c1-15-8-3-6(2-7(10)4-8)9-13-11-5-12-14-9/h2-5H,1H3
InChIKeyONSFXTRBGKIGMJ-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.08
Rot. Bonds2

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

3-(3-fluoro-5-methoxyphenyl)-1,2,4,5-tetrazine (PubChem CID 146637927) has the molecular formula C9H7FN4O and a molecular weight of 206.18 g/mol. Its IUPAC name is 3-(3-fluoro-5-methoxyphenyl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-(3-fluoro-5-methoxyphenyl)-1,2,4,5-tetrazine
PubChem CID146637927
Molecular FormulaC9H7FN4O
Molecular Weight206.18 g/mol
Exact Mass206.06
IUPAC Name3-(3-fluoro-5-methoxyphenyl)-1,2,4,5-tetrazine
SMILESCOc1cc(F)cc(-c2nncnn2)c1
InChIInChI=1S/C9H7FN4O/c1-15-8-3-6(2-7(10)4-8)9-13-11-5-12-14-9/h2-5H,1H3
InChIKeyONSFXTRBGKIGMJ-UHFFFAOYSA-N
XLogP1.08
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-methoxyphenyl)-1,2,4,5-tetrazine?
The IUPAC name of 3-(3-fluoro-5-methoxyphenyl)-1,2,4,5-tetrazine (CID 146637927) is 3-(3-fluoro-5-methoxyphenyl)-1,2,4,5-tetrazine.
What is the SMILES notation for 3-(3-fluoro-5-methoxyphenyl)-1,2,4,5-tetrazine?
The canonical SMILES for 3-(3-fluoro-5-methoxyphenyl)-1,2,4,5-tetrazine is COc1cc(F)cc(-c2nncnn2)c1.
What is the InChIKey of 3-(3-fluoro-5-methoxyphenyl)-1,2,4,5-tetrazine?
The InChIKey is ONSFXTRBGKIGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O/c1-15-8-3-6(2-7(10)4-8)9-13-11-5-12-14-9/h2-5H,1H3.
What are the key properties of 3-(3-fluoro-5-methoxyphenyl)-1,2,4,5-tetrazine?
3-(3-fluoro-5-methoxyphenyl)-1,2,4,5-tetrazine has a molecular weight of 206.18 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-methoxyphenyl)-1,2,4,5-tetrazine is sourced from PubChem (CID 146637927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).