3-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine

C21H18N4 — CID 155542000

IUPAC3-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
SMILESCc1ccc(-c2cn(Cc3ccc(-c4cccnc4)cc3)nn2)cc1
InChIInChI=1S/C21H18N4/c1-16-4-8-19(9-5-16)21-15-25(24-23-21)14-17-6-10-18(11-7-17)20-3-2-12-22-13-20/h2-13,15H,14H2,1H3
InChIKeyGXCMCDVHMWZWJF-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.36
Rot. Bonds4

About 3-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine

3-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine (PubChem CID 155542000) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
PubChem CID155542000
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name3-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
SMILESCc1ccc(-c2cn(Cc3ccc(-c4cccnc4)cc3)nn2)cc1
InChIInChI=1S/C21H18N4/c1-16-4-8-19(9-5-16)21-15-25(24-23-21)14-17-6-10-18(11-7-17)20-3-2-12-22-13-20/h2-13,15H,14H2,1H3
InChIKeyGXCMCDVHMWZWJF-UHFFFAOYSA-N
XLogP4.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Triprolidine
CID 5282443
Triprolidine Hydrochloride Anhydrous
CID 5702129
2,3-Diphenylpyrazine
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BC-1215
CID 72201045
Triprolidine hydrochloride monohydrate
CID 5284472
1,5-Diphenyl-1H-1,2,3-triazole
CID 281048
N-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]-4-(1-naphthylmethyl)-1-piperazinamine
CID 6886669
2,5-Diphenylpyrazine
CID 220958
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
3-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9877457
5-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9942221
4-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9964177

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine?
The IUPAC name of 3-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine (CID 155542000) is 3-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine?
The canonical SMILES for 3-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine is Cc1ccc(-c2cn(Cc3ccc(-c4cccnc4)cc3)nn2)cc1.
What is the InChIKey of 3-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine?
The InChIKey is GXCMCDVHMWZWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-16-4-8-19(9-5-16)21-15-25(24-23-21)14-17-6-10-18(11-7-17)20-3-2-12-22-13-20/h2-13,15H,14H2,1H3.
What are the key properties of 3-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine?
3-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine has a molecular weight of 326.40 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine is sourced from PubChem (CID 155542000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).