2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine

C22H18N8 — CID 138453473

IUPAC2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine
SMILESCc1cccc(-c2n[nH]nc2-c2cccc(-c3n[nH]nc3-c3cccc(C)n3)c2)n1
InChIInChI=1S/C22H18N8/c1-13-6-3-10-17(23-13)21-19(25-29-27-21)15-8-5-9-16(12-15)20-22(28-30-26-20)18-11-4-7-14(2)24-18/h3-12H,1-2H3,(H,25,27,29)(H,26,28,30)
InChIKeyACHZCNIGXYPPSW-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.00
Rot. Bonds4

About 2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine

2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine (PubChem CID 138453473) has the molecular formula C22H18N8 and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine
PubChem CID138453473
Molecular FormulaC22H18N8
Molecular Weight394.44 g/mol
Exact Mass394.17
IUPAC Name2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine
SMILESCc1cccc(-c2n[nH]nc2-c2cccc(-c3n[nH]nc3-c3cccc(C)n3)c2)n1
InChIInChI=1S/C22H18N8/c1-13-6-3-10-17(23-13)21-19(25-29-27-21)15-8-5-9-16(12-15)20-22(28-30-26-20)18-11-4-7-14(2)24-18/h3-12H,1-2H3,(H,25,27,29)(H,26,28,30)
InChIKeyACHZCNIGXYPPSW-UHFFFAOYSA-N
XLogP4.00
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine with MolForge

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Related Compounds

4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole
CID 118532825
2,4,6-tris[3,5-bis(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 129265668
4-ethyl-6-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]-2,3-dihydro-1,4-benzoxazine
CID 10471317
6,7-dimethyl-2,3-bis(6-methyl-2-pyridinyl)quinoxaline
CID 15427002
2-methyl-6-(6-phenyl-2-pyridinyl)pyridine
CID 14698682
2-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyridine
CID 147261627
4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole
CID 142183458
2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile
CID 90976447
2-[2,4-bis(6-methyl-2-pyridinyl)-1H-imidazol-5-yl]-6-methylpyridine
CID 176548812
4,5-diphenyl-2H-triazole
CID 613500
3-[3-[5-(4-methyl-1,3-thiazol-2-yl)-2H-triazol-4-yl]phenyl]-1,2,5-thiadiazole
CID 67550702
2-methyl-6-pyridin-3-ylpyridine;propane
CID 144615785

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine?
The IUPAC name of 2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine (CID 138453473) is 2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine.
What is the SMILES notation for 2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine?
The canonical SMILES for 2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine is Cc1cccc(-c2n[nH]nc2-c2cccc(-c3n[nH]nc3-c3cccc(C)n3)c2)n1.
What is the InChIKey of 2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine?
The InChIKey is ACHZCNIGXYPPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8/c1-13-6-3-10-17(23-13)21-19(25-29-27-21)15-8-5-9-16(12-15)20-22(28-30-26-20)18-11-4-7-14(2)24-18/h3-12H,1-2H3,(H,25,27,29)(H,26,28,30).
What are the key properties of 2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine?
2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine has a molecular weight of 394.44 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine is sourced from PubChem (CID 138453473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).