3-chloro-5-(2-methylphenyl)-1-phenyl-1,2,4-triazole

C15H12ClN3 — CID 30032708

IUPAC3-chloro-5-(2-methylphenyl)-1-phenyl-1,2,4-triazole
SMILESCc1ccccc1-c1nc(Cl)nn1-c1ccccc1
InChIInChI=1S/C15H12ClN3/c1-11-7-5-6-10-13(11)14-17-15(16)18-19(14)12-8-3-2-4-9-12/h2-10H,1H3
InChIKeyXDVNAQZEOWDXJT-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.90
Rot. Bonds2

About 3-chloro-5-(2-methylphenyl)-1-phenyl-1,2,4-triazole

3-chloro-5-(2-methylphenyl)-1-phenyl-1,2,4-triazole (PubChem CID 30032708) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 3-chloro-5-(2-methylphenyl)-1-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-(2-methylphenyl)-1-phenyl-1,2,4-triazole
PubChem CID30032708
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name3-chloro-5-(2-methylphenyl)-1-phenyl-1,2,4-triazole
SMILESCc1ccccc1-c1nc(Cl)nn1-c1ccccc1
InChIInChI=1S/C15H12ClN3/c1-11-7-5-6-10-13(11)14-17-15(16)18-19(14)12-8-3-2-4-9-12/h2-10H,1H3
InChIKeyXDVNAQZEOWDXJT-UHFFFAOYSA-N
XLogP3.90
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-methyl-1-phenyl-1,2,4-triazole
CID 30032671
3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole
CID 30032770
5-(2-methylphenyl)-3-naphthalen-2-yl-1-phenylpyrazole
CID 11428380
5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole
CID 13163603
3,5-dichloro-6-(2-methylphenyl)-1-phenylpyrazin-2-one
CID 45268991
2-(2-phenyl-5-propyl-1,2,4-triazol-3-yl)phenol
CID 877391
5-chloro-3-methyl-1-phenylpyrazole
CID 2735771
2-[3-chloro-5-(2-methoxyphenyl)-1,2,4-triazol-1-yl]pyrimidine
CID 30032947
4-chloro-N-[4-[5-(2-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]phenyl]benzamide
CID 42665230
2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methylphenyl)tetrazole
CID 7614366
2-(5-chloro-2-methyl-1,2,4-triazol-3-yl)aniline
CID 84676485
N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide
CID 1029177

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-methylphenyl)-1-phenyl-1,2,4-triazole?
The IUPAC name of 3-chloro-5-(2-methylphenyl)-1-phenyl-1,2,4-triazole (CID 30032708) is 3-chloro-5-(2-methylphenyl)-1-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-(2-methylphenyl)-1-phenyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-(2-methylphenyl)-1-phenyl-1,2,4-triazole is Cc1ccccc1-c1nc(Cl)nn1-c1ccccc1.
What is the InChIKey of 3-chloro-5-(2-methylphenyl)-1-phenyl-1,2,4-triazole?
The InChIKey is XDVNAQZEOWDXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c1-11-7-5-6-10-13(11)14-17-15(16)18-19(14)12-8-3-2-4-9-12/h2-10H,1H3.
What are the key properties of 3-chloro-5-(2-methylphenyl)-1-phenyl-1,2,4-triazole?
3-chloro-5-(2-methylphenyl)-1-phenyl-1,2,4-triazole has a molecular weight of 269.74 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-methylphenyl)-1-phenyl-1,2,4-triazole is sourced from PubChem (CID 30032708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).