4,5-diphenyl-2H-triazole

C14H11N3 — CID 613500

IUPAC4,5-diphenyl-2H-triazole
SMILESc1ccc(-c2n[nH]nc2-c2ccccc2)cc1
InChIInChI=1S/C14H11N3/c1-3-7-11(8-4-1)13-14(16-17-15-13)12-9-5-2-6-10-12/h1-10H,(H,15,16,17)
InChIKeyUAPNUNDZDVNTDQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.14
Rot. Bonds2

About 4,5-diphenyl-2H-triazole

4,5-diphenyl-2H-triazole (PubChem CID 613500) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4,5-diphenyl-2H-triazole.

Molecular Properties

Compound Name4,5-diphenyl-2H-triazole
PubChem CID613500
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name4,5-diphenyl-2H-triazole
SMILESc1ccc(-c2n[nH]nc2-c2ccccc2)cc1
InChIInChI=1S/C14H11N3/c1-3-7-11(8-4-1)13-14(16-17-15-13)12-9-5-2-6-10-12/h1-10H,(H,15,16,17)
InChIKeyUAPNUNDZDVNTDQ-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-p-Tolyl-1H-(1,2,3)triazole
CID 594397
4-phenyl-1H-1,2,3-triazole
CID 137153
1H-1,2,3-Triazole, 4-(4-ethylphenyl)-
CID 9920495
1,2,3-Triazolo(4,5-d)(2)benzazepine, 2,4-dihydro-6-phenyl-
CID 3060450
4-(3-Methylphenyl)-1H-1,2,3-triazole
CID 6419227
5-(2-phenylphenyl)-1H-1,2,3-triazole
CID 9877859
5-(4-propylphenyl)-1H-1,2,3-triazole
CID 9920578
3,4-Diphenyl-1,2,5-oxadiazole
CID 140581
5-methyl-4-phenyl-1H-1,2,3-triazole
CID 12207442
4-Bromo-5-phenyl-1H-1,2,3-triazole
CID 51345776
4-(4-isopropylphenyl)-5-cyano-2H-1,2,3-triazole
CID 44437844
4-(3-ethylphenyl)-2H-triazole
CID 60156091

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2H-triazole?
The IUPAC name of 4,5-diphenyl-2H-triazole (CID 613500) is 4,5-diphenyl-2H-triazole.
What is the SMILES notation for 4,5-diphenyl-2H-triazole?
The canonical SMILES for 4,5-diphenyl-2H-triazole is c1ccc(-c2n[nH]nc2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-2H-triazole?
The InChIKey is UAPNUNDZDVNTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c1-3-7-11(8-4-1)13-14(16-17-15-13)12-9-5-2-6-10-12/h1-10H,(H,15,16,17).
What are the key properties of 4,5-diphenyl-2H-triazole?
4,5-diphenyl-2H-triazole has a molecular weight of 221.26 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2H-triazole is sourced from PubChem (CID 613500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).