4,5-diphenyl-2,3-dihydro-1H-triazole

C14H13N3 — CID 163692721

IUPAC4,5-diphenyl-2,3-dihydro-1H-triazole
SMILESc1ccc(C2=C(c3ccccc3)NNN2)cc1
InChIInChI=1S/C14H13N3/c1-3-7-11(8-4-1)13-14(16-17-15-13)12-9-5-2-6-10-12/h1-10,15-17H
InChIKeyJUIFTGJJVJLLCG-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.12
Rot. Bonds2

About 4,5-diphenyl-2,3-dihydro-1H-triazole

4,5-diphenyl-2,3-dihydro-1H-triazole (PubChem CID 163692721) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4,5-diphenyl-2,3-dihydro-1H-triazole.

Molecular Properties

Compound Name4,5-diphenyl-2,3-dihydro-1H-triazole
PubChem CID163692721
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name4,5-diphenyl-2,3-dihydro-1H-triazole
SMILESc1ccc(C2=C(c3ccccc3)NNN2)cc1
InChIInChI=1S/C14H13N3/c1-3-7-11(8-4-1)13-14(16-17-15-13)12-9-5-2-6-10-12/h1-10,15-17H
InChIKeyJUIFTGJJVJLLCG-UHFFFAOYSA-N
XLogP2.12
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene;tris(1,1'-biphenyl)
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bis(1,1'-biphenyl);sulfane
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CID 53446764
1,1'-biphenyl;indigane
CID 174363765
benzene;bis(1,1'-biphenyl);methane
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1,1'-biphenyl;hydroiodide
CID 66586334
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
CID 162140615
CID 162140615
1-chloro-4-phenyl-2,3-dihydrophthalazine
CID 118601774
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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2,3-dihydro-1H-triazole?
The IUPAC name of 4,5-diphenyl-2,3-dihydro-1H-triazole (CID 163692721) is 4,5-diphenyl-2,3-dihydro-1H-triazole.
What is the SMILES notation for 4,5-diphenyl-2,3-dihydro-1H-triazole?
The canonical SMILES for 4,5-diphenyl-2,3-dihydro-1H-triazole is c1ccc(C2=C(c3ccccc3)NNN2)cc1.
What is the InChIKey of 4,5-diphenyl-2,3-dihydro-1H-triazole?
The InChIKey is JUIFTGJJVJLLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-3-7-11(8-4-1)13-14(16-17-15-13)12-9-5-2-6-10-12/h1-10,15-17H.
What are the key properties of 4,5-diphenyl-2,3-dihydro-1H-triazole?
4,5-diphenyl-2,3-dihydro-1H-triazole has a molecular weight of 223.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2,3-dihydro-1H-triazole is sourced from PubChem (CID 163692721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).