4,5-diphenyl-1-propan-2-yltriazole

C17H17N3 — CID 1216333

IUPAC4,5-diphenyl-1-propan-2-yltriazole
SMILESCC(C)n1nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H17N3/c1-13(2)20-17(15-11-7-4-8-12-15)16(18-19-20)14-9-5-3-6-10-14/h3-13H,1-2H3
InChIKeyJZMODRQSBDDSTE-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.19
Rot. Bonds3

About 4,5-diphenyl-1-propan-2-yltriazole

4,5-diphenyl-1-propan-2-yltriazole (PubChem CID 1216333) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4,5-diphenyl-1-propan-2-yltriazole.

Molecular Properties

Compound Name4,5-diphenyl-1-propan-2-yltriazole
PubChem CID1216333
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4,5-diphenyl-1-propan-2-yltriazole
SMILESCC(C)n1nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H17N3/c1-13(2)20-17(15-11-7-4-8-12-15)16(18-19-20)14-9-5-3-6-10-14/h3-13H,1-2H3
InChIKeyJZMODRQSBDDSTE-UHFFFAOYSA-N
XLogP4.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-1-propan-2-yltriazole?
The IUPAC name of 4,5-diphenyl-1-propan-2-yltriazole (CID 1216333) is 4,5-diphenyl-1-propan-2-yltriazole.
What is the SMILES notation for 4,5-diphenyl-1-propan-2-yltriazole?
The canonical SMILES for 4,5-diphenyl-1-propan-2-yltriazole is CC(C)n1nnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4,5-diphenyl-1-propan-2-yltriazole?
The InChIKey is JZMODRQSBDDSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13(2)20-17(15-11-7-4-8-12-15)16(18-19-20)14-9-5-3-6-10-14/h3-13H,1-2H3.
What are the key properties of 4,5-diphenyl-1-propan-2-yltriazole?
4,5-diphenyl-1-propan-2-yltriazole has a molecular weight of 263.34 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1-propan-2-yltriazole is sourced from PubChem (CID 1216333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).