2-[3-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazol-5-yl]phenol

C16H12N6O2S2 — CID 164627196

IUPAC2-[3-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazol-5-yl]phenol
SMILESOc1ccccc1-c1nc(SSc2n[nH]c(-c3ccccc3O)n2)n[nH]1
InChIInChI=1S/C16H12N6O2S2/c23-11-7-3-1-5-9(11)13-17-15(21-19-13)25-26-16-18-14(20-22-16)10-6-2-4-8-12(10)24/h1-8,23-24H,(H,17,19,21)(H,18,20,22)
InChIKeyFGAZZGALXLSIPA-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.47
Rot. Bonds5

About 2-[3-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazol-5-yl]phenol

2-[3-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazol-5-yl]phenol (PubChem CID 164627196) has the molecular formula C16H12N6O2S2 and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-[3-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazol-5-yl]phenol
PubChem CID164627196
Molecular FormulaC16H12N6O2S2
Molecular Weight384.45 g/mol
Exact Mass384.05
IUPAC Name2-[3-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazol-5-yl]phenol
SMILESOc1ccccc1-c1nc(SSc2n[nH]c(-c3ccccc3O)n2)n[nH]1
InChIInChI=1S/C16H12N6O2S2/c23-11-7-3-1-5-9(11)13-17-15(21-19-13)25-26-16-18-14(20-22-16)10-6-2-4-8-12(10)24/h1-8,23-24H,(H,17,19,21)(H,18,20,22)
InChIKeyFGAZZGALXLSIPA-UHFFFAOYSA-N
XLogP3.47
TPSA123.60 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(6E)-6-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one
CID 389407
2-(5-phenyl-4H-1,2,4-triazol-3-yl)phenol
CID 677535
4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol
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2-(4H-1,2,4-triazol-3-yl)phenol
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5-(3-methoxyphenyl)-3-[[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole
CID 164620923
5-(2-methoxyphenyl)-3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole
CID 164625175
4-(5-amino-1H-1,2,4-triazol-3-yl)phenol
CID 135629271
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide
CID 3165840
2-[4-Amino-5-(2-hydroxy-3-methylphenyl)-1,2,4-triazol-3-yl]-6-methylphenol
CID 136502357
1-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]-3-(2H-tetrazol-5-yl)propan-2-one
CID 168276788
3-(5-amino-4H-1,2,4-triazol-3-yl)phenol
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2-(5-amino-4H-1,2,4-triazol-3-yl)phenol
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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazol-5-yl]phenol?
The IUPAC name of 2-[3-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazol-5-yl]phenol (CID 164627196) is 2-[3-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazol-5-yl]phenol.
What is the SMILES notation for 2-[3-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazol-5-yl]phenol?
The canonical SMILES for 2-[3-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazol-5-yl]phenol is Oc1ccccc1-c1nc(SSc2n[nH]c(-c3ccccc3O)n2)n[nH]1.
What is the InChIKey of 2-[3-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazol-5-yl]phenol?
The InChIKey is FGAZZGALXLSIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2S2/c23-11-7-3-1-5-9(11)13-17-15(21-19-13)25-26-16-18-14(20-22-16)10-6-2-4-8-12(10)24/h1-8,23-24H,(H,17,19,21)(H,18,20,22).
What are the key properties of 2-[3-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazol-5-yl]phenol?
2-[3-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazol-5-yl]phenol has a molecular weight of 384.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazol-5-yl]phenol is sourced from PubChem (CID 164627196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).