N-[3-(1-benzyltriazol-4-yl)phenyl]-1-pyridin-2-ylmethanimine

C21H17N5 — CID 102195601

IUPACN-[3-(1-benzyltriazol-4-yl)phenyl]-1-pyridin-2-ylmethanimine
SMILESC(=N/c1cccc(-c2cn(Cc3ccccc3)nn2)c1)\c1ccccn1
InChIInChI=1S/C21H17N5/c1-2-7-17(8-3-1)15-26-16-21(24-25-26)18-9-6-11-19(13-18)23-14-20-10-4-5-12-22-20/h1-14,16H,15H2/b23-14+
InChIKeyGBLFAMZZFHIBIS-OEAKJJBVSA-N
MW339.40 g/mol
LogP4.14
Rot. Bonds5

About N-[3-(1-benzyltriazol-4-yl)phenyl]-1-pyridin-2-ylmethanimine

N-[3-(1-benzyltriazol-4-yl)phenyl]-1-pyridin-2-ylmethanimine (PubChem CID 102195601) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[3-(1-benzyltriazol-4-yl)phenyl]-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-[3-(1-benzyltriazol-4-yl)phenyl]-1-pyridin-2-ylmethanimine
PubChem CID102195601
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC NameN-[3-(1-benzyltriazol-4-yl)phenyl]-1-pyridin-2-ylmethanimine
SMILESC(=N/c1cccc(-c2cn(Cc3ccccc3)nn2)c1)\c1ccccn1
InChIInChI=1S/C21H17N5/c1-2-7-17(8-3-1)15-26-16-21(24-25-26)18-9-6-11-19(13-18)23-14-20-10-4-5-12-22-20/h1-14,16H,15H2/b23-14+
InChIKeyGBLFAMZZFHIBIS-OEAKJJBVSA-N
XLogP4.14
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-(3-ethynylphenyl)triazole
CID 132526695
1-[(3-benzylphenyl)methyl]-4-phenyltriazole
CID 11993966
2-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]pyridine
CID 175938515
1-benzyl-4-(4-chlorophenyl)triazole
CID 24809363
1-[(3-methylsulfanylphenyl)methyl]-4-phenyltriazole
CID 174984307
1-benzyl-4-(3,5-dimethoxyphenyl)triazole
CID 70640912
1-[3-(1-benzyltriazol-4-yl)phenyl]-3-(2-hydroxyethyl)urea
CID 75427418
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
N,N-dimethyl-3-(pyridin-2-ylmethylideneamino)aniline
CID 155931686
[3-(1-benzyltriazol-4-yl)phenyl] N-methylcarbamate
CID 66593699
2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine
CID 112718307
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine
CID 102291275

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzyltriazol-4-yl)phenyl]-1-pyridin-2-ylmethanimine?
The IUPAC name of N-[3-(1-benzyltriazol-4-yl)phenyl]-1-pyridin-2-ylmethanimine (CID 102195601) is N-[3-(1-benzyltriazol-4-yl)phenyl]-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-[3-(1-benzyltriazol-4-yl)phenyl]-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-[3-(1-benzyltriazol-4-yl)phenyl]-1-pyridin-2-ylmethanimine is C(=N/c1cccc(-c2cn(Cc3ccccc3)nn2)c1)\c1ccccn1.
What is the InChIKey of N-[3-(1-benzyltriazol-4-yl)phenyl]-1-pyridin-2-ylmethanimine?
The InChIKey is GBLFAMZZFHIBIS-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H17N5/c1-2-7-17(8-3-1)15-26-16-21(24-25-26)18-9-6-11-19(13-18)23-14-20-10-4-5-12-22-20/h1-14,16H,15H2/b23-14+.
What are the key properties of N-[3-(1-benzyltriazol-4-yl)phenyl]-1-pyridin-2-ylmethanimine?
N-[3-(1-benzyltriazol-4-yl)phenyl]-1-pyridin-2-ylmethanimine has a molecular weight of 339.40 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzyltriazol-4-yl)phenyl]-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 102195601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).