3,6-bis(2-iodophenyl)-1,2,4,5-tetrazine

C14H8I2N4 — CID 129188184

IUPAC3,6-bis(2-iodophenyl)-1,2,4,5-tetrazine
SMILESIc1ccccc1-c1nnc(-c2ccccc2I)nn1
InChIInChI=1S/C14H8I2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H
InChIKeyGROBRLCMEZANOQ-UHFFFAOYSA-N
MW486.05 g/mol
LogP3.81
Rot. Bonds2

About 3,6-bis(2-iodophenyl)-1,2,4,5-tetrazine

3,6-bis(2-iodophenyl)-1,2,4,5-tetrazine (PubChem CID 129188184) has the molecular formula C14H8I2N4 and a molecular weight of 486.05 g/mol. Its IUPAC name is 3,6-bis(2-iodophenyl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-bis(2-iodophenyl)-1,2,4,5-tetrazine
PubChem CID129188184
Molecular FormulaC14H8I2N4
Molecular Weight486.05 g/mol
Exact Mass485.88
IUPAC Name3,6-bis(2-iodophenyl)-1,2,4,5-tetrazine
SMILESIc1ccccc1-c1nnc(-c2ccccc2I)nn1
InChIInChI=1S/C14H8I2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H
InChIKeyGROBRLCMEZANOQ-UHFFFAOYSA-N
XLogP3.81
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.05
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(2-iodophenyl)-2-sulfanyltetrazole
CID 68628595
3-(2-iodophenyl)-5-methyl-1,2,4-oxadiazole
CID 131159700
3-(2-iodophenyl)-5-methyl-1H-1,2,4-triazole
CID 43166774
3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane
CID 145320903
1-iodo-2-(4-phenylphenyl)benzene
CID 12595491
3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride
CID 174661750
1-iodo-2-(2-phenylphenyl)benzene
CID 12595499
1,2-diiodobenzene;tetrahydrofluoride
CID 174612997
1-bromo-2-[2-(2-iodophenyl)phenyl]benzene
CID 172548371
3-(2-iodophenyl)-1,2-oxazole
CID 141216414
5-(2-iodophenyl)-3,4-dihydro-2H-pyrrole
CID 118087484
3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 112572229

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2-iodophenyl)-1,2,4,5-tetrazine?
The IUPAC name of 3,6-bis(2-iodophenyl)-1,2,4,5-tetrazine (CID 129188184) is 3,6-bis(2-iodophenyl)-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-bis(2-iodophenyl)-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-bis(2-iodophenyl)-1,2,4,5-tetrazine is Ic1ccccc1-c1nnc(-c2ccccc2I)nn1.
What is the InChIKey of 3,6-bis(2-iodophenyl)-1,2,4,5-tetrazine?
The InChIKey is GROBRLCMEZANOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8I2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H.
What are the key properties of 3,6-bis(2-iodophenyl)-1,2,4,5-tetrazine?
3,6-bis(2-iodophenyl)-1,2,4,5-tetrazine has a molecular weight of 486.05 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2-iodophenyl)-1,2,4,5-tetrazine is sourced from PubChem (CID 129188184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).