(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2-methoxyphenyl)methanimine

C12H14N4O — CID 5343068

IUPAC(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2-methoxyphenyl)methanimine
SMILESCOc1ccccc1/C=N/n1c(C)nnc1C
InChIInChI=1S/C12H14N4O/c1-9-14-15-10(2)16(9)13-8-11-6-4-5-7-12(11)17-3/h4-8H,1-3H3/b13-8+
InChIKeyAQGGGHOVVJVZHF-MDWZMJQESA-N
MW230.27 g/mol
LogP1.79
Rot. Bonds3

About (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2-methoxyphenyl)methanimine

(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2-methoxyphenyl)methanimine (PubChem CID 5343068) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2-methoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2-methoxyphenyl)methanimine
PubChem CID5343068
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2-methoxyphenyl)methanimine
SMILESCOc1ccccc1/C=N/n1c(C)nnc1C
InChIInChI=1S/C12H14N4O/c1-9-14-15-10(2)16(9)13-8-11-6-4-5-7-12(11)17-3/h4-8H,1-3H3/b13-8+
InChIKeyAQGGGHOVVJVZHF-MDWZMJQESA-N
XLogP1.79
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2-methoxyphenyl)methanimine?
The IUPAC name of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2-methoxyphenyl)methanimine (CID 5343068) is (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2-methoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2-methoxyphenyl)methanimine?
The canonical SMILES for (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2-methoxyphenyl)methanimine is COc1ccccc1/C=N/n1c(C)nnc1C.
What is the InChIKey of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2-methoxyphenyl)methanimine?
The InChIKey is AQGGGHOVVJVZHF-MDWZMJQESA-N. The full InChI is InChI=1S/C12H14N4O/c1-9-14-15-10(2)16(9)13-8-11-6-4-5-7-12(11)17-3/h4-8H,1-3H3/b13-8+.
What are the key properties of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2-methoxyphenyl)methanimine?
(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2-methoxyphenyl)methanimine has a molecular weight of 230.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2-methoxyphenyl)methanimine is sourced from PubChem (CID 5343068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).