5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole

C24H20N6O2 — CID 118529375

IUPAC5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
SMILESCOc1ccc(-c2nc(-c3cccc(-c4n[nH]c(-c5ccc(OC)cc5)n4)c3)n[nH]2)cc1
InChIInChI=1S/C24H20N6O2/c1-31-19-10-6-15(7-11-19)21-25-23(29-27-21)17-4-3-5-18(14-17)24-26-22(28-30-24)16-8-12-20(32-2)13-9-16/h3-14H,1-2H3,(H,25,27,29)(H,26,28,30)
InChIKeyQVYNMEBBPFGJJI-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.61
Rot. Bonds6

About 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole

5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole (PubChem CID 118529375) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
PubChem CID118529375
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC Name5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
SMILESCOc1ccc(-c2nc(-c3cccc(-c4n[nH]c(-c5ccc(OC)cc5)n4)c3)n[nH]2)cc1
InChIInChI=1S/C24H20N6O2/c1-31-19-10-6-15(7-11-19)21-25-23(29-27-21)17-4-3-5-18(14-17)24-26-22(28-30-24)16-8-12-20(32-2)13-9-16/h3-14H,1-2H3,(H,25,27,29)(H,26,28,30)
InChIKeyQVYNMEBBPFGJJI-UHFFFAOYSA-N
XLogP4.61
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529464
5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529706
N-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]-N-methylethanamine
CID 21180315
5-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzene-1,3-diamine
CID 43826589
4-[3-[3-[5-[4-(diethylamino)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]-N,N-diethylaniline
CID 118529717
3-(3-bromophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole
CID 918292
3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole
CID 150089010
4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]piperazin-2-ol
CID 142648088
[4-[3-[3-[5-[4-(2-ethylhexanoyloxy)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl] 2-ethylhexanoate
CID 118529765
ethane;5-(furan-2-yl)-3-[3-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 144664757
3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine
CID 118529419
5-(3-methoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole;hydrochloride
CID 21180336

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole (CID 118529375) is 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole is COc1ccc(-c2nc(-c3cccc(-c4n[nH]c(-c5ccc(OC)cc5)n4)c3)n[nH]2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole?
The InChIKey is QVYNMEBBPFGJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c1-31-19-10-6-15(7-11-19)21-25-23(29-27-21)17-4-3-5-18(14-17)24-26-22(28-30-24)16-8-12-20(32-2)13-9-16/h3-14H,1-2H3,(H,25,27,29)(H,26,28,30).
What are the key properties of 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole?
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole has a molecular weight of 424.46 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole is sourced from PubChem (CID 118529375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).