1-(3-methylphenyl)-4-(4-methylphenyl)triazole

C16H15N3 — CID 153378101

IUPAC1-(3-methylphenyl)-4-(4-methylphenyl)triazole
SMILESCc1ccc(-c2cn(-c3cccc(C)c3)nn2)cc1
InChIInChI=1S/C16H15N3/c1-12-6-8-14(9-7-12)16-11-19(18-17-16)15-5-3-4-13(2)10-15/h3-11H,1-2H3
InChIKeyDYJBTBZFWVNZGO-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.55
Rot. Bonds2

About 1-(3-methylphenyl)-4-(4-methylphenyl)triazole

1-(3-methylphenyl)-4-(4-methylphenyl)triazole (PubChem CID 153378101) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-(3-methylphenyl)-4-(4-methylphenyl)triazole.

Molecular Properties

Compound Name1-(3-methylphenyl)-4-(4-methylphenyl)triazole
PubChem CID153378101
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name1-(3-methylphenyl)-4-(4-methylphenyl)triazole
SMILESCc1ccc(-c2cn(-c3cccc(C)c3)nn2)cc1
InChIInChI=1S/C16H15N3/c1-12-6-8-14(9-7-12)16-11-19(18-17-16)15-5-3-4-13(2)10-15/h3-11H,1-2H3
InChIKeyDYJBTBZFWVNZGO-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

4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole
CID 20977584
3-[1-(3-methylphenyl)triazol-4-yl]benzonitrile
CID 122190595
1-(4-chlorophenyl)-4-(4-methylphenyl)triazole
CID 134686857
4-[1-(4-methylphenyl)triazol-4-yl]phenol
CID 160861488
2-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine
CID 71552175
1-phenyl-4-(4-phenylphenyl)triazole
CID 140714352
4-[1-(3-methoxyphenyl)triazol-4-yl]phenol
CID 156521583
4-(1-bromoethyl)-1-(3-methylphenyl)triazole
CID 81445146
4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole
CID 141476610
2-[1-(3-methylphenyl)triazol-4-yl]pyridine-4-carboxylic acid
CID 122191456
3-[4-(4-fluorophenyl)triazol-1-yl]phenol
CID 122501207
4-[1-(3-propan-2-ylphenyl)triazol-4-yl]phenol
CID 156521663

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-4-(4-methylphenyl)triazole?
The IUPAC name of 1-(3-methylphenyl)-4-(4-methylphenyl)triazole (CID 153378101) is 1-(3-methylphenyl)-4-(4-methylphenyl)triazole.
What is the SMILES notation for 1-(3-methylphenyl)-4-(4-methylphenyl)triazole?
The canonical SMILES for 1-(3-methylphenyl)-4-(4-methylphenyl)triazole is Cc1ccc(-c2cn(-c3cccc(C)c3)nn2)cc1.
What is the InChIKey of 1-(3-methylphenyl)-4-(4-methylphenyl)triazole?
The InChIKey is DYJBTBZFWVNZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-12-6-8-14(9-7-12)16-11-19(18-17-16)15-5-3-4-13(2)10-15/h3-11H,1-2H3.
What are the key properties of 1-(3-methylphenyl)-4-(4-methylphenyl)triazole?
1-(3-methylphenyl)-4-(4-methylphenyl)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-(3-methylphenyl)-4-(4-methylphenyl)triazole is sourced from PubChem (CID 153378101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).