2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine

C15H14N4 — CID 102291275

IUPAC2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine
SMILESCc1ccc(Cn2cc(-c3ccccn3)nn2)cc1
InChIInChI=1S/C15H14N4/c1-12-5-7-13(8-6-12)10-19-11-15(17-18-19)14-4-2-3-9-16-14/h2-9,11H,10H2,1H3
InChIKeyARMILMGOKKKJOY-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.70
Rot. Bonds3

About 2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine

2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine (PubChem CID 102291275) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine
PubChem CID102291275
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine
SMILESCc1ccc(Cn2cc(-c3ccccn3)nn2)cc1
InChIInChI=1S/C15H14N4/c1-12-5-7-13(8-6-12)10-19-11-15(17-18-19)14-4-2-3-9-16-14/h2-9,11H,10H2,1H3
InChIKeyARMILMGOKKKJOY-UHFFFAOYSA-N
XLogP2.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 62054469
trimethyl-[4-(4-pyridin-2-yltriazol-1-yl)butyl]azanium
CID 71725787
7-(4-pyridin-2-yltriazol-1-yl)heptan-2-one
CID 167561665
3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 72735142
1-benzyl-4-(4-chlorophenyl)triazole
CID 24809363
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
1-benzyl-4-(4-tritylphenyl)triazole;platinum(2+);2-(1H-1,2,4-triazol-5-yl)pyridine
CID 86272504
2,4-dimethyl-5-(4-pyridin-2-yltriazol-1-yl)pentanal
CID 145226871
4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
CID 42623925
2-[1-(trifluoromethyl)triazol-4-yl]pyridine
CID 67428287
2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine
CID 175312241
2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine
CID 112718307

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine?
The IUPAC name of 2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine (CID 102291275) is 2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine.
What is the SMILES notation for 2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine?
The canonical SMILES for 2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine is Cc1ccc(Cn2cc(-c3ccccn3)nn2)cc1.
What is the InChIKey of 2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine?
The InChIKey is ARMILMGOKKKJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-12-5-7-13(8-6-12)10-19-11-15(17-18-19)14-4-2-3-9-16-14/h2-9,11H,10H2,1H3.
What are the key properties of 2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine?
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine has a molecular weight of 250.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine is sourced from PubChem (CID 102291275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).