4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)-3-(1,2,4-triazol-4-yl)prop-1-enyl]phenol

C23H20N4O2 — CID 129137289

IUPAC4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)-3-(1,2,4-triazol-4-yl)prop-1-enyl]phenol
SMILESNc1ccc(C(Cn2cnnc2)=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C23H20N4O2/c24-19-7-1-16(2-8-19)22(13-27-14-25-26-15-27)23(17-3-9-20(28)10-4-17)18-5-11-21(29)12-6-18/h1-12,14-15,28-29H,13,24H2
InChIKeyNDQLCXWMQHDJLD-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.93
Rot. Bonds5

About 4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)-3-(1,2,4-triazol-4-yl)prop-1-enyl]phenol

4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)-3-(1,2,4-triazol-4-yl)prop-1-enyl]phenol (PubChem CID 129137289) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)-3-(1,2,4-triazol-4-yl)prop-1-enyl]phenol.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)-3-(1,2,4-triazol-4-yl)prop-1-enyl]phenol
PubChem CID129137289
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)-3-(1,2,4-triazol-4-yl)prop-1-enyl]phenol
SMILESNc1ccc(C(Cn2cnnc2)=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C23H20N4O2/c24-19-7-1-16(2-8-19)22(13-27-14-25-26-15-27)23(17-3-9-20(28)10-4-17)18-5-11-21(29)12-6-18/h1-12,14-15,28-29H,13,24H2
InChIKeyNDQLCXWMQHDJLD-UHFFFAOYSA-N
XLogP3.93
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)-3-(1,2,4-triazol-4-yl)prop-1-enyl]phenol?
The IUPAC name of 4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)-3-(1,2,4-triazol-4-yl)prop-1-enyl]phenol (CID 129137289) is 4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)-3-(1,2,4-triazol-4-yl)prop-1-enyl]phenol.
What is the SMILES notation for 4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)-3-(1,2,4-triazol-4-yl)prop-1-enyl]phenol?
The canonical SMILES for 4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)-3-(1,2,4-triazol-4-yl)prop-1-enyl]phenol is Nc1ccc(C(Cn2cnnc2)=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)-3-(1,2,4-triazol-4-yl)prop-1-enyl]phenol?
The InChIKey is NDQLCXWMQHDJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c24-19-7-1-16(2-8-19)22(13-27-14-25-26-15-27)23(17-3-9-20(28)10-4-17)18-5-11-21(29)12-6-18/h1-12,14-15,28-29H,13,24H2.
What are the key properties of 4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)-3-(1,2,4-triazol-4-yl)prop-1-enyl]phenol?
4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)-3-(1,2,4-triazol-4-yl)prop-1-enyl]phenol has a molecular weight of 384.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)-3-(1,2,4-triazol-4-yl)prop-1-enyl]phenol is sourced from PubChem (CID 129137289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).