(Z)-1-(2,3-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine

C13H16N4O2 — CID 5402138

IUPAC(Z)-1-(2,3-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
SMILESCOc1cccc(/C=N\n2c(C)nnc2C)c1OC
InChIInChI=1S/C13H16N4O2/c1-9-15-16-10(2)17(9)14-8-11-6-5-7-12(18-3)13(11)19-4/h5-8H,1-4H3/b14-8-
InChIKeyYGORFVBVPNWLFU-ZSOIEALJSA-N
MW260.30 g/mol
LogP1.79
Rot. Bonds4

About (Z)-1-(2,3-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine

(Z)-1-(2,3-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine (PubChem CID 5402138) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (Z)-1-(2,3-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(2,3-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
PubChem CID5402138
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(Z)-1-(2,3-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
SMILESCOc1cccc(/C=N\n2c(C)nnc2C)c1OC
InChIInChI=1S/C13H16N4O2/c1-9-15-16-10(2)17(9)14-8-11-6-5-7-12(18-3)13(11)19-4/h5-8H,1-4H3/b14-8-
InChIKeyYGORFVBVPNWLFU-ZSOIEALJSA-N
XLogP1.79
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (Z)-1-(2,3-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-(2,3-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine (CID 5402138) is (Z)-1-(2,3-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-(2,3-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-(2,3-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine is COc1cccc(/C=N\n2c(C)nnc2C)c1OC.
What is the InChIKey of (Z)-1-(2,3-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The InChIKey is YGORFVBVPNWLFU-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-15-16-10(2)17(9)14-8-11-6-5-7-12(18-3)13(11)19-4/h5-8H,1-4H3/b14-8-.
What are the key properties of (Z)-1-(2,3-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
(Z)-1-(2,3-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine has a molecular weight of 260.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,3-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 5402138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).