Phenol, 4,4'-(1,2,4,5-tetrazine-3,6-diyl)bis-

C14H10N4O2 — CID 300451

IUPAC4-[6-(4-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol
SMILESC1=CC(=CC=C1C2=NN=C(N=N2)C3=CC=C(C=C3)O)O
InChIInChI=1S/C14H10N4O2/c19-11-5-1-9(2-6-11)13-15-17-14(18-16-13)10-3-7-12(20)8-4-10/h1-8,19-20H
InChIKeyCPOMHYIJGJUENL-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.20
Rot. Bonds2

About Phenol, 4,4'-(1,2,4,5-tetrazine-3,6-diyl)bis-

Phenol, 4,4'-(1,2,4,5-tetrazine-3,6-diyl)bis- (PubChem CID 300451) has the molecular formula C14H10N4O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is 4-[6-(4-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol.

Molecular Properties

Compound NamePhenol, 4,4'-(1,2,4,5-tetrazine-3,6-diyl)bis-
PubChem CID300451
Molecular FormulaC14H10N4O2
Molecular Weight266.25 g/mol
Exact Mass266.08
IUPAC Name4-[6-(4-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol
SMILESC1=CC(=CC=C1C2=NN=C(N=N2)C3=CC=C(C=C3)O)O
InChIInChI=1S/C14H10N4O2/c19-11-5-1-9(2-6-11)13-15-17-14(18-16-13)10-3-7-12(20)8-4-10/h1-8,19-20H
InChIKeyCPOMHYIJGJUENL-UHFFFAOYSA-N
XLogP1.20
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity264

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(4-Hydroxyphenyl)-1,2-dihydro-1,2,4,5-tetrazin-3-yl]phenol
CID 300452
3,3'-(1,2,4,5-Tetrazine-3,6-diyl)diphenol
CID 269792
4-(2-Methyl-2H-tetrazol-5-yl)phenol
CID 135648956
4-(1H-1,2,3,4-tetrazol-5-yl)phenol
CID 863634
4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]phenol
CID 497166
3,6-Bis(4-methoxyphenyl)-1,2,4,5-tetrazine
CID 269795
2-(5-(4-hydroxyphenyl)-2H-tetrazol-2-yl)acetic acid
CID 135648959
2,6-Dimethyl-4-(5-phenyl-tetrazol-2-ylmethyl)-phenol
CID 706750
6,6'-(1,2-Dihydro-1,2,4,5-tetrazine-3,6-diylidene)di(cyclohexa-2,4-dien-1-one)
CID 136229799
2-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenol
CID 162406556
3-Fluoro-4-(2-methyltetrazol-5-yl)phenol
CID 137218821
[5-[6-(3-Fluorooxy-4,5-dihydroxyphenyl)-1,2,4,5-tetrazin-3-yl]-2,3-dihydroxyphenyl] hypofluorite
CID 144632343

Frequently Asked Questions

What is the IUPAC name of Phenol, 4,4'-(1,2,4,5-tetrazine-3,6-diyl)bis-?
The IUPAC name of Phenol, 4,4'-(1,2,4,5-tetrazine-3,6-diyl)bis- (CID 300451) is 4-[6-(4-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol.
What is the SMILES notation for Phenol, 4,4'-(1,2,4,5-tetrazine-3,6-diyl)bis-?
The canonical SMILES for Phenol, 4,4'-(1,2,4,5-tetrazine-3,6-diyl)bis- is C1=CC(=CC=C1C2=NN=C(N=N2)C3=CC=C(C=C3)O)O.
What is the InChIKey of Phenol, 4,4'-(1,2,4,5-tetrazine-3,6-diyl)bis-?
The InChIKey is CPOMHYIJGJUENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c19-11-5-1-9(2-6-11)13-15-17-14(18-16-13)10-3-7-12(20)8-4-10/h1-8,19-20H.
What are the key properties of Phenol, 4,4'-(1,2,4,5-tetrazine-3,6-diyl)bis-?
Phenol, 4,4'-(1,2,4,5-tetrazine-3,6-diyl)bis- has a molecular weight of 266.25 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Phenol, 4,4'-(1,2,4,5-tetrazine-3,6-diyl)bis- is sourced from PubChem (CID 300451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).