2,4-diphenyl-1-propan-2-yltriazol-1-ium

C17H18N3+ — CID 14041634

IUPAC2,4-diphenyl-1-propan-2-yltriazol-1-ium
SMILESCC(C)[n+]1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H18N3/c1-14(2)19-13-17(15-9-5-3-6-10-15)18-20(19)16-11-7-4-8-12-16/h3-14H,1-2H3/q+1
InChIKeyPJEVKJPVZHLVOT-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.41
Rot. Bonds3

About 2,4-diphenyl-1-propan-2-yltriazol-1-ium

2,4-diphenyl-1-propan-2-yltriazol-1-ium (PubChem CID 14041634) has the molecular formula C17H18N3+ and a molecular weight of 264.35 g/mol. Its IUPAC name is 2,4-diphenyl-1-propan-2-yltriazol-1-ium.

Molecular Properties

Compound Name2,4-diphenyl-1-propan-2-yltriazol-1-ium
PubChem CID14041634
Molecular FormulaC17H18N3+
Molecular Weight264.35 g/mol
Exact Mass264.15
IUPAC Name2,4-diphenyl-1-propan-2-yltriazol-1-ium
SMILESCC(C)[n+]1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H18N3/c1-14(2)19-13-17(15-9-5-3-6-10-15)18-20(19)16-11-7-4-8-12-16/h3-14H,1-2H3/q+1
InChIKeyPJEVKJPVZHLVOT-UHFFFAOYSA-N
XLogP3.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-(2-methyl-6-phenylpyridazin-3-ylidene)hydrazine
CID 45096716
3-methyl-2,4-diphenyl-1-propan-2-ylimidazol-1-ium
CID 50922990
3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine
CID 4671441
1,3,5-triphenylpyrazole
CID 626614
5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole
CID 90162115
1-methyl-3,5-diphenyl-2H-imidazo[4,5-b]pyridine
CID 70665390
1-phenyl-4-(4-phenylphenyl)triazole
CID 140714352
1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42758329
1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine
CID 10727427
[(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium
CID 144959097
2,3,5-triphenyltetrazol-2-ium;chloride;hydrate
CID 23288416
(2S)-2-(3-phenylpyrazol-1-yl)propan-1-amine
CID 118514487

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-1-propan-2-yltriazol-1-ium?
The IUPAC name of 2,4-diphenyl-1-propan-2-yltriazol-1-ium (CID 14041634) is 2,4-diphenyl-1-propan-2-yltriazol-1-ium.
What is the SMILES notation for 2,4-diphenyl-1-propan-2-yltriazol-1-ium?
The canonical SMILES for 2,4-diphenyl-1-propan-2-yltriazol-1-ium is CC(C)[n+]1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 2,4-diphenyl-1-propan-2-yltriazol-1-ium?
The InChIKey is PJEVKJPVZHLVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N3/c1-14(2)19-13-17(15-9-5-3-6-10-15)18-20(19)16-11-7-4-8-12-16/h3-14H,1-2H3/q+1.
What are the key properties of 2,4-diphenyl-1-propan-2-yltriazol-1-ium?
2,4-diphenyl-1-propan-2-yltriazol-1-ium has a molecular weight of 264.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-1-propan-2-yltriazol-1-ium is sourced from PubChem (CID 14041634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).