1-(5-tert-butyl-2H-triazol-4-yl)-N-(2,4-dimethylphenyl)methanimine

C15H20N4 — CID 135500661

IUPAC1-(5-tert-butyl-2H-triazol-4-yl)-N-(2,4-dimethylphenyl)methanimine
SMILESCc1ccc(/N=C/c2n[nH]nc2C(C)(C)C)c(C)c1
InChIInChI=1S/C15H20N4/c1-10-6-7-12(11(2)8-10)16-9-13-14(15(3,4)5)18-19-17-13/h6-9H,1-5H3,(H,17,18,19)/b16-9+
InChIKeyZZXYGALEWISCAU-CXUHLZMHSA-N
MW256.35 g/mol
LogP3.47
Rot. Bonds2

About 1-(5-tert-butyl-2H-triazol-4-yl)-N-(2,4-dimethylphenyl)methanimine

1-(5-tert-butyl-2H-triazol-4-yl)-N-(2,4-dimethylphenyl)methanimine (PubChem CID 135500661) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(5-tert-butyl-2H-triazol-4-yl)-N-(2,4-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-(5-tert-butyl-2H-triazol-4-yl)-N-(2,4-dimethylphenyl)methanimine
PubChem CID135500661
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-(5-tert-butyl-2H-triazol-4-yl)-N-(2,4-dimethylphenyl)methanimine
SMILESCc1ccc(/N=C/c2n[nH]nc2C(C)(C)C)c(C)c1
InChIInChI=1S/C15H20N4/c1-10-6-7-12(11(2)8-10)16-9-13-14(15(3,4)5)18-19-17-13/h6-9H,1-5H3,(H,17,18,19)/b16-9+
InChIKeyZZXYGALEWISCAU-CXUHLZMHSA-N
XLogP3.47
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2H-triazol-4-yl)-N-(2,4-dimethylphenyl)methanimine?
The IUPAC name of 1-(5-tert-butyl-2H-triazol-4-yl)-N-(2,4-dimethylphenyl)methanimine (CID 135500661) is 1-(5-tert-butyl-2H-triazol-4-yl)-N-(2,4-dimethylphenyl)methanimine.
What is the SMILES notation for 1-(5-tert-butyl-2H-triazol-4-yl)-N-(2,4-dimethylphenyl)methanimine?
The canonical SMILES for 1-(5-tert-butyl-2H-triazol-4-yl)-N-(2,4-dimethylphenyl)methanimine is Cc1ccc(/N=C/c2n[nH]nc2C(C)(C)C)c(C)c1.
What is the InChIKey of 1-(5-tert-butyl-2H-triazol-4-yl)-N-(2,4-dimethylphenyl)methanimine?
The InChIKey is ZZXYGALEWISCAU-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H20N4/c1-10-6-7-12(11(2)8-10)16-9-13-14(15(3,4)5)18-19-17-13/h6-9H,1-5H3,(H,17,18,19)/b16-9+.
What are the key properties of 1-(5-tert-butyl-2H-triazol-4-yl)-N-(2,4-dimethylphenyl)methanimine?
1-(5-tert-butyl-2H-triazol-4-yl)-N-(2,4-dimethylphenyl)methanimine has a molecular weight of 256.35 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2H-triazol-4-yl)-N-(2,4-dimethylphenyl)methanimine is sourced from PubChem (CID 135500661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).