2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole

C19H18ClN7O — CID 143797429

IUPAC2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole
SMILESCc1ccc(-c2nnc(OC(C)c3nnn(-c4cccc(Cl)c4)n3)n2C)cc1
InChIInChI=1S/C19H18ClN7O/c1-12-7-9-14(10-8-12)18-22-23-19(26(18)3)28-13(2)17-21-25-27(24-17)16-6-4-5-15(20)11-16/h4-11,13H,1-3H3
InChIKeyYXNARFNYUXQIJJ-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.56
Rot. Bonds5

About 2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole

2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole (PubChem CID 143797429) has the molecular formula C19H18ClN7O and a molecular weight of 395.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole
PubChem CID143797429
Molecular FormulaC19H18ClN7O
Molecular Weight395.85 g/mol
Exact Mass395.13
IUPAC Name2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole
SMILESCc1ccc(-c2nnc(OC(C)c3nnn(-c4cccc(Cl)c4)n3)n2C)cc1
InChIInChI=1S/C19H18ClN7O/c1-12-7-9-14(10-8-12)18-22-23-19(26(18)3)28-13(2)17-21-25-27(24-17)16-6-4-5-15(20)11-16/h4-11,13H,1-3H3
InChIKeyYXNARFNYUXQIJJ-UHFFFAOYSA-N
XLogP3.56
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole with MolForge

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Related Compounds

4-[5-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine;[2-(3-chlorophenyl)tetrazol-5-yl]methyl-triphenylphosphanium
CID 87888129
4-[5-[1-[1-(3-chlorophenyl)pyrazol-4-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 11349529
4-[5-[(1R)-1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one
CID 24853276
1-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethyl]-1,3-diazinane
CID 141194236
1-methyl-4-[4-methyl-5-[1-[2-(3-methylphenyl)tetrazol-5-yl]ethylsulfanyl]-1,2,4-triazol-3-yl]pyridin-2-one
CID 68515775
4-[4-methyl-5-[1-[2-(3-methylphenyl)tetrazol-5-yl]ethylsulfanyl]-1,2,4-triazol-3-yl]-1H-pyridazin-6-one
CID 68513201
1-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671186
3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine
CID 82370797
8-(3-chlorophenyl)-5-[(1S)-1-(2-methyltetrazol-5-yl)ethoxy]pyrido[3,4-d]pyrimidin-4-amine
CID 178009446
2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde
CID 87601401
1-(3-chlorophenyl)-4,5-dimethylimidazole
CID 125478648
1-[2-(3-chlorophenyl)tetrazol-5-yl]-N-(4H-thiopyran-2-ylmethyl)butan-1-amine
CID 143434692

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole?
The IUPAC name of 2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole (CID 143797429) is 2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole?
The canonical SMILES for 2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole is Cc1ccc(-c2nnc(OC(C)c3nnn(-c4cccc(Cl)c4)n3)n2C)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole?
The InChIKey is YXNARFNYUXQIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7O/c1-12-7-9-14(10-8-12)18-22-23-19(26(18)3)28-13(2)17-21-25-27(24-17)16-6-4-5-15(20)11-16/h4-11,13H,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole?
2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole has a molecular weight of 395.85 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole is sourced from PubChem (CID 143797429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).