1-(4-chlorophenyl)-4-(4-methylphenyl)triazole

C15H12ClN3 — CID 134686857

IUPAC1-(4-chlorophenyl)-4-(4-methylphenyl)triazole
SMILESCc1ccc(-c2cn(-c3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C15H12ClN3/c1-11-2-4-12(5-3-11)15-10-19(18-17-15)14-8-6-13(16)7-9-14/h2-10H,1H3
InChIKeyXXRAUFCPALGHGZ-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.90
Rot. Bonds2

About 1-(4-chlorophenyl)-4-(4-methylphenyl)triazole

1-(4-chlorophenyl)-4-(4-methylphenyl)triazole (PubChem CID 134686857) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(4-methylphenyl)triazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(4-methylphenyl)triazole
PubChem CID134686857
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name1-(4-chlorophenyl)-4-(4-methylphenyl)triazole
SMILESCc1ccc(-c2cn(-c3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C15H12ClN3/c1-11-2-4-12(5-3-11)15-10-19(18-17-15)14-8-6-13(16)7-9-14/h2-10H,1H3
InChIKeyXXRAUFCPALGHGZ-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

4-[1-(4-methylphenyl)triazol-4-yl]phenol
CID 160861488
4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole
CID 141476610
4-[1-(4-methylphenyl)triazol-4-yl]benzonitrile
CID 134864603
1-(3-methylphenyl)-4-(4-methylphenyl)triazole
CID 153378101
3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole
CID 23524520
[4-[1-(4-methylphenyl)triazol-4-yl]phenyl] sulfamate
CID 160971496
4-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]aniline
CID 82369720
1-phenyl-4-(4-phenylphenyl)triazole
CID 140714352
2-fluoro-4-[2-[4-[4-(4-methylphenyl)triazol-1-yl]phenyl]ethynyl]benzonitrile
CID 132528471
N-(4-chloro-2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38955384
methyl N-[[2-chloro-5-[1-(4-chlorophenyl)triazol-4-yl]phenyl]methyl]carbamate
CID 66789410
4-[4-(5-chloro-2-methylphenyl)triazol-1-yl]aniline
CID 82369736

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(4-methylphenyl)triazole?
The IUPAC name of 1-(4-chlorophenyl)-4-(4-methylphenyl)triazole (CID 134686857) is 1-(4-chlorophenyl)-4-(4-methylphenyl)triazole.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(4-methylphenyl)triazole?
The canonical SMILES for 1-(4-chlorophenyl)-4-(4-methylphenyl)triazole is Cc1ccc(-c2cn(-c3ccc(Cl)cc3)nn2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(4-methylphenyl)triazole?
The InChIKey is XXRAUFCPALGHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c1-11-2-4-12(5-3-11)15-10-19(18-17-15)14-8-6-13(16)7-9-14/h2-10H,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-(4-methylphenyl)triazole?
1-(4-chlorophenyl)-4-(4-methylphenyl)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 1-(4-chlorophenyl)-4-(4-methylphenyl)triazole is sourced from PubChem (CID 134686857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).