1-[2-methyl-5-(3-methylphenyl)phenyl]triazole

C16H15N3 — CID 172553076

IUPAC1-[2-methyl-5-(3-methylphenyl)phenyl]triazole
SMILESCc1cccc(-c2ccc(C)c(-n3ccnn3)c2)c1
InChIInChI=1S/C16H15N3/c1-12-4-3-5-14(10-12)15-7-6-13(2)16(11-15)19-9-8-17-18-19/h3-11H,1-2H3
InChIKeyNDEWCXSHJUKJPT-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.55
Rot. Bonds2

About 1-[2-methyl-5-(3-methylphenyl)phenyl]triazole

1-[2-methyl-5-(3-methylphenyl)phenyl]triazole (PubChem CID 172553076) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-[2-methyl-5-(3-methylphenyl)phenyl]triazole.

Molecular Properties

Compound Name1-[2-methyl-5-(3-methylphenyl)phenyl]triazole
PubChem CID172553076
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name1-[2-methyl-5-(3-methylphenyl)phenyl]triazole
SMILESCc1cccc(-c2ccc(C)c(-n3ccnn3)c2)c1
InChIInChI=1S/C16H15N3/c1-12-4-3-5-14(10-12)15-7-6-13(2)16(11-15)19-9-8-17-18-19/h3-11H,1-2H3
InChIKeyNDEWCXSHJUKJPT-UHFFFAOYSA-N
XLogP3.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

copper;1-(2-methylphenyl)triazole
CID 141369525
ethane;1-methyl-5-(3-methylphenyl)triazole
CID 176560147
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
4-(3-methylphenyl)-2-(4-methylphenyl)pyridine
CID 118345294
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
1-(3-chloro-4-methylphenyl)triazole
CID 144674616
bis(4-methylbenzenesulfonic acid);2-(triazol-1-yl)benzamide
CID 175710477
4-(4-fluorophenyl)-2-(triazol-1-yl)benzonitrile
CID 168965609

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(3-methylphenyl)phenyl]triazole?
The IUPAC name of 1-[2-methyl-5-(3-methylphenyl)phenyl]triazole (CID 172553076) is 1-[2-methyl-5-(3-methylphenyl)phenyl]triazole.
What is the SMILES notation for 1-[2-methyl-5-(3-methylphenyl)phenyl]triazole?
The canonical SMILES for 1-[2-methyl-5-(3-methylphenyl)phenyl]triazole is Cc1cccc(-c2ccc(C)c(-n3ccnn3)c2)c1.
What is the InChIKey of 1-[2-methyl-5-(3-methylphenyl)phenyl]triazole?
The InChIKey is NDEWCXSHJUKJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-12-4-3-5-14(10-12)15-7-6-13(2)16(11-15)19-9-8-17-18-19/h3-11H,1-2H3.
What are the key properties of 1-[2-methyl-5-(3-methylphenyl)phenyl]triazole?
1-[2-methyl-5-(3-methylphenyl)phenyl]triazole has a molecular weight of 249.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(3-methylphenyl)phenyl]triazole is sourced from PubChem (CID 172553076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).