3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole

C14H17N3O — CID 115393361

IUPAC3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole
SMILESc1ccc(-n2cnnc2CCC2CCCO2)cc1
InChIInChI=1S/C14H17N3O/c1-2-5-12(6-3-1)17-11-15-16-14(17)9-8-13-7-4-10-18-13/h1-3,5-6,11,13H,4,7-10H2
InChIKeySVDZFAGYIZNYBS-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.38
Rot. Bonds4

About 3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole

3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole (PubChem CID 115393361) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole
PubChem CID115393361
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole
SMILESc1ccc(-n2cnnc2CCC2CCCO2)cc1
InChIInChI=1S/C14H17N3O/c1-2-5-12(6-3-1)17-11-15-16-14(17)9-8-13-7-4-10-18-13/h1-3,5-6,11,13H,4,7-10H2
InChIKeySVDZFAGYIZNYBS-UHFFFAOYSA-N
XLogP2.38
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole (CID 115393361) is 3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole is c1ccc(-n2cnnc2CCC2CCCO2)cc1.
What is the InChIKey of 3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole?
The InChIKey is SVDZFAGYIZNYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-5-12(6-3-1)17-11-15-16-14(17)9-8-13-7-4-10-18-13/h1-3,5-6,11,13H,4,7-10H2.
What are the key properties of 3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole?
3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole has a molecular weight of 243.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 115393361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).