2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol

C17H15N3O2 — CID 135498001

IUPAC2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol
SMILESCOc1ccc(/C=C/c2nc(-c3ccccc3O)n[nH]2)cc1
InChIInChI=1S/C17H15N3O2/c1-22-13-9-6-12(7-10-13)8-11-16-18-17(20-19-16)14-4-2-3-5-15(14)21/h2-11,21H,1H3,(H,18,19,20)/b11-8+
InChIKeyQOJKRAIHYYDPNU-DHZHZOJOSA-N
MW293.33 g/mol
LogP3.36
Rot. Bonds4

About 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol

2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 135498001) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol
PubChem CID135498001
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol
SMILESCOc1ccc(/C=C/c2nc(-c3ccccc3O)n[nH]2)cc1
InChIInChI=1S/C17H15N3O2/c1-22-13-9-6-12(7-10-13)8-11-16-18-17(20-19-16)14-4-2-3-5-15(14)21/h2-11,21H,1H3,(H,18,19,20)/b11-8+
InChIKeyQOJKRAIHYYDPNU-DHZHZOJOSA-N
XLogP3.36
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-amine
CID 605283
Diphenytriazol
CID 122000
5-(4-Methoxyphenyl)-4H-1,2,4-triazol-3-amine
CID 781002
(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
5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 3239895
3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole
CID 61343280
4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol
CID 2768020
triazolothiadiazine, 8K
CID 135750250
3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole
CID 155818568
4-[5-(4-Methoxy-phenyl)-1H-[1,2,4]triazol-3-ylazo]-phenol
CID 2839885
4-{3-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-5-yl}phenol
CID 2952342

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol (CID 135498001) is 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol is COc1ccc(/C=C/c2nc(-c3ccccc3O)n[nH]2)cc1.
What is the InChIKey of 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is QOJKRAIHYYDPNU-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-13-9-6-12(7-10-13)8-11-16-18-17(20-19-16)14-4-2-3-5-15(14)21/h2-11,21H,1H3,(H,18,19,20)/b11-8+.
What are the key properties of 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol?
2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol has a molecular weight of 293.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135498001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).