2-[3-cyclopropyl-5-[2-(4-phenylphenyl)ethyl]-1,2,4-triazol-1-yl]ethanol

C21H23N3O — CID 72875139

IUPAC2-[3-cyclopropyl-5-[2-(4-phenylphenyl)ethyl]-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1nc(C2CC2)nc1CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H23N3O/c25-15-14-24-20(22-21(23-24)19-11-12-19)13-8-16-6-9-18(10-7-16)17-4-2-1-3-5-17/h1-7,9-10,19,25H,8,11-15H2
InChIKeySVMAHYJWKIRMAG-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.60
Rot. Bonds7

About 2-[3-cyclopropyl-5-[2-(4-phenylphenyl)ethyl]-1,2,4-triazol-1-yl]ethanol

2-[3-cyclopropyl-5-[2-(4-phenylphenyl)ethyl]-1,2,4-triazol-1-yl]ethanol (PubChem CID 72875139) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[3-cyclopropyl-5-[2-(4-phenylphenyl)ethyl]-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-cyclopropyl-5-[2-(4-phenylphenyl)ethyl]-1,2,4-triazol-1-yl]ethanol
PubChem CID72875139
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-[3-cyclopropyl-5-[2-(4-phenylphenyl)ethyl]-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1nc(C2CC2)nc1CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H23N3O/c25-15-14-24-20(22-21(23-24)19-11-12-19)13-8-16-6-9-18(10-7-16)17-4-2-1-3-5-17/h1-7,9-10,19,25H,8,11-15H2
InChIKeySVMAHYJWKIRMAG-UHFFFAOYSA-N
XLogP3.60
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-5-[2-(4-phenylphenyl)ethyl]-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-cyclopropyl-5-[2-(4-phenylphenyl)ethyl]-1,2,4-triazol-1-yl]ethanol (CID 72875139) is 2-[3-cyclopropyl-5-[2-(4-phenylphenyl)ethyl]-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-cyclopropyl-5-[2-(4-phenylphenyl)ethyl]-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-cyclopropyl-5-[2-(4-phenylphenyl)ethyl]-1,2,4-triazol-1-yl]ethanol is OCCn1nc(C2CC2)nc1CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[3-cyclopropyl-5-[2-(4-phenylphenyl)ethyl]-1,2,4-triazol-1-yl]ethanol?
The InChIKey is SVMAHYJWKIRMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-15-14-24-20(22-21(23-24)19-11-12-19)13-8-16-6-9-18(10-7-16)17-4-2-1-3-5-17/h1-7,9-10,19,25H,8,11-15H2.
What are the key properties of 2-[3-cyclopropyl-5-[2-(4-phenylphenyl)ethyl]-1,2,4-triazol-1-yl]ethanol?
2-[3-cyclopropyl-5-[2-(4-phenylphenyl)ethyl]-1,2,4-triazol-1-yl]ethanol has a molecular weight of 333.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-5-[2-(4-phenylphenyl)ethyl]-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 72875139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).