ULB

3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole

Created:	2021-03-01
Last modified:	2021-03-24

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1 entries where ULB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	17

2D diagram of ULB

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Chemical Component Summary
Name	3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole
Systematic Name (OpenEye OEToolkits)	3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole
Formula	C₁₆ H₁₅ N₃ O
Molecular Weight	265.31
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3
Canonical SMILES	CACTVS	3.385	Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3
InChI	InChI	1.03	InChI=1S/C16H15N3O/c1-12-17-16(19-18-12)14-9-5-6-10-15(14)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,18,19)
InChIKey	InChI	1.03	NPTNHLPXAAOUPO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155818568

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.