3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine

C11H10IN3O — CID 114448087

IUPAC3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine
SMILESCc1nnc(Oc2ccc(I)cc2)nc1C
InChIInChI=1S/C11H10IN3O/c1-7-8(2)14-15-11(13-7)16-10-5-3-9(12)4-6-10/h3-6H,1-2H3
InChIKeyHKMXVWTUGNOPSO-UHFFFAOYSA-N
MW327.13 g/mol
LogP2.89
Rot. Bonds2

About 3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine

3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine (PubChem CID 114448087) has the molecular formula C11H10IN3O and a molecular weight of 327.13 g/mol. Its IUPAC name is 3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine.

Molecular Properties

Compound Name3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine
PubChem CID114448087
Molecular FormulaC11H10IN3O
Molecular Weight327.13 g/mol
Exact Mass326.99
IUPAC Name3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine
SMILESCc1nnc(Oc2ccc(I)cc2)nc1C
InChIInChI=1S/C11H10IN3O/c1-7-8(2)14-15-11(13-7)16-10-5-3-9(12)4-6-10/h3-6H,1-2H3
InChIKeyHKMXVWTUGNOPSO-UHFFFAOYSA-N
XLogP2.89
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 52.89
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

2-(4-iodophenoxy)-4-methylpyrimidine
CID 62958901
1-iodo-4-[4-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494530
2-(4-iodophenoxy)-3-methylpyrazine
CID 83063242
2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine
CID 169281032
3-(4-iodophenoxy)-5,6-dimethylpyridazine-4-carboxylic acid
CID 62702753
2-(4-iodophenoxy)-4-methyl-1,3-thiazole
CID 61400116
6-(4-iodophenoxy)-2-methyl-3-nitropyridine
CID 80719025
2-[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]phenyl]ethanol
CID 107713663
6-(4-iodophenoxy)pyridine-2,3-diamine
CID 79826483
5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-amine
CID 43554486
4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
CID 80881028
2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine
CID 80880955

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine?
The IUPAC name of 3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine (CID 114448087) is 3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine.
What is the SMILES notation for 3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine?
The canonical SMILES for 3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine is Cc1nnc(Oc2ccc(I)cc2)nc1C.
What is the InChIKey of 3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine?
The InChIKey is HKMXVWTUGNOPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O/c1-7-8(2)14-15-11(13-7)16-10-5-3-9(12)4-6-10/h3-6H,1-2H3.
What are the key properties of 3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine?
3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine has a molecular weight of 327.13 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine is sourced from PubChem (CID 114448087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).