3-(3-phenyl-1H-1,2,4-triazol-5-yl)naphthalen-2-ol

C18H13N3O — CID 135618203

IUPAC3-(3-phenyl-1H-1,2,4-triazol-5-yl)naphthalen-2-ol
SMILESOc1cc2ccccc2cc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H13N3O/c22-16-11-14-9-5-4-8-13(14)10-15(16)18-19-17(20-21-18)12-6-2-1-3-7-12/h1-11,22H,(H,19,20,21)
InChIKeyQEQQKVMFDOFYKN-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.00
Rot. Bonds2

About 3-(3-phenyl-1H-1,2,4-triazol-5-yl)naphthalen-2-ol

3-(3-phenyl-1H-1,2,4-triazol-5-yl)naphthalen-2-ol (PubChem CID 135618203) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(3-phenyl-1H-1,2,4-triazol-5-yl)naphthalen-2-ol.

Molecular Properties

Compound Name3-(3-phenyl-1H-1,2,4-triazol-5-yl)naphthalen-2-ol
PubChem CID135618203
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name3-(3-phenyl-1H-1,2,4-triazol-5-yl)naphthalen-2-ol
SMILESOc1cc2ccccc2cc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H13N3O/c22-16-11-14-9-5-4-8-13(14)10-15(16)18-19-17(20-21-18)12-6-2-1-3-7-12/h1-11,22H,(H,19,20,21)
InChIKeyQEQQKVMFDOFYKN-UHFFFAOYSA-N
XLogP4.00
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-1H-[1,2,4]triazol-3-yl)-phenol
CID 677535
3-[4-methyl-3-(methylthio)-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone
CID 651108
5-(3-Methoxy-phenyl)-3-naphthalen-2-ylmethyl-1H-[1,2,4]triazole
CID 44379977
1-[4-Amino-5-[8-[4-amino-5-(2-hydroxy-1-naphthyl)-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]naphthalen-2-ol
CID 382827
2-{3-[2-(4-fluorophenyl)vinyl]-1H-1,2,4-triazol-5-yl}phenol
CID 5294236
4-(1-ethyl-1H-1,2,4-triazol-5-yl)-1-naphthol
CID 137025364
3-(6-methoxynaphthalen-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 141388701
3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)naphthalen-2-ol
CID 135506852
2-{3-[(E)-2-phenylethenyl]-1H-1,2,4-triazol-5-yl}phenol
CID 135629145
2-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-1H-1,2,4-triazol-5-yl}phenol
CID 135644848
2-[5-[2-(4-fluorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol
CID 2952114

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1H-1,2,4-triazol-5-yl)naphthalen-2-ol?
The IUPAC name of 3-(3-phenyl-1H-1,2,4-triazol-5-yl)naphthalen-2-ol (CID 135618203) is 3-(3-phenyl-1H-1,2,4-triazol-5-yl)naphthalen-2-ol.
What is the SMILES notation for 3-(3-phenyl-1H-1,2,4-triazol-5-yl)naphthalen-2-ol?
The canonical SMILES for 3-(3-phenyl-1H-1,2,4-triazol-5-yl)naphthalen-2-ol is Oc1cc2ccccc2cc1-c1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-(3-phenyl-1H-1,2,4-triazol-5-yl)naphthalen-2-ol?
The InChIKey is QEQQKVMFDOFYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-16-11-14-9-5-4-8-13(14)10-15(16)18-19-17(20-21-18)12-6-2-1-3-7-12/h1-11,22H,(H,19,20,21).
What are the key properties of 3-(3-phenyl-1H-1,2,4-triazol-5-yl)naphthalen-2-ol?
3-(3-phenyl-1H-1,2,4-triazol-5-yl)naphthalen-2-ol has a molecular weight of 287.32 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1H-1,2,4-triazol-5-yl)naphthalen-2-ol is sourced from PubChem (CID 135618203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).