3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenol

C8H5FN4O — CID 146637330

IUPAC3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenol
SMILESOc1cc(F)cc(-c2nncnn2)c1
InChIInChI=1S/C8H5FN4O/c9-6-1-5(2-7(14)3-6)8-12-10-4-11-13-8/h1-4,14H
InChIKeyZVCOSETYYFBCQF-UHFFFAOYSA-N
MW192.15 g/mol
LogP0.78
Rot. Bonds1

About 3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenol

3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenol (PubChem CID 146637330) has the molecular formula C8H5FN4O and a molecular weight of 192.15 g/mol. Its IUPAC name is 3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenol.

Molecular Properties

Compound Name3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenol
PubChem CID146637330
Molecular FormulaC8H5FN4O
Molecular Weight192.15 g/mol
Exact Mass192.04
IUPAC Name3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenol
SMILESOc1cc(F)cc(-c2nncnn2)c1
InChIInChI=1S/C8H5FN4O/c9-6-1-5(2-7(14)3-6)8-12-10-4-11-13-8/h1-4,14H
InChIKeyZVCOSETYYFBCQF-UHFFFAOYSA-N
XLogP0.78
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3'-(1,2,4,5-Tetrazine-3,6-diyl)diphenol
CID 269792
2-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenol
CID 162406556
2-fluoro-5-(2H-tetrazol-5-yl)phenol
CID 20776972
3-Fluoro-4-(2-methyltetrazol-5-yl)phenol
CID 137218821
2-Fluoro-4-(1,2,4,5-tetrazin-3-yl)phenol
CID 146637744
3-(3-Fluoro-5-methoxyphenyl)-1,2,4,5-tetrazine
CID 146637927
4-Fluoro-2-(1,2,4,5-tetrazin-3-yl)phenol
CID 146637939
3-Fluoro-2-[2-(fluoromethyl)tetrazol-5-yl]phenol
CID 177953048
2-[2-(Fluoromethyl)tetrazol-5-yl]phenol
CID 177953078
4-(6-Phenyl-1,2,4,5-tetrazin-3-yl)phenol
CID 298797
3-fluoro-5-(2H-tetrazol-5-yl)phenol
CID 130568512
3-Fluoro-5-(2-methyltetrazol-5-yl)phenol
CID 131137875

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenol?
The IUPAC name of 3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenol (CID 146637330) is 3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenol.
What is the SMILES notation for 3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenol?
The canonical SMILES for 3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenol is Oc1cc(F)cc(-c2nncnn2)c1.
What is the InChIKey of 3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenol?
The InChIKey is ZVCOSETYYFBCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN4O/c9-6-1-5(2-7(14)3-6)8-12-10-4-11-13-8/h1-4,14H.
What are the key properties of 3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenol?
3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenol has a molecular weight of 192.15 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenol is sourced from PubChem (CID 146637330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).