1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylethanimine

C7H10N4 — CID 134267974

IUPAC1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylethanimine
SMILESC=Cn1cnnc1/C(C)=N/C
InChIInChI=1S/C7H10N4/c1-4-11-5-9-10-7(11)6(2)8-3/h4-5H,1H2,2-3H3/b8-6+
InChIKeyNXQMGXKSOUTKFQ-SOFGYWHQSA-N
MW150.18 g/mol
LogP0.82
Rot. Bonds2

About 1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylethanimine

1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylethanimine (PubChem CID 134267974) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylethanimine.

Molecular Properties

Compound Name1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylethanimine
PubChem CID134267974
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylethanimine
SMILESC=Cn1cnnc1/C(C)=N/C
InChIInChI=1S/C7H10N4/c1-4-11-5-9-10-7(11)6(2)8-3/h4-5H,1H2,2-3H3/b8-6+
InChIKeyNXQMGXKSOUTKFQ-SOFGYWHQSA-N
XLogP0.82
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylethanimine?
The IUPAC name of 1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylethanimine (CID 134267974) is 1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylethanimine.
What is the SMILES notation for 1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylethanimine?
The canonical SMILES for 1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylethanimine is C=Cn1cnnc1/C(C)=N/C.
What is the InChIKey of 1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylethanimine?
The InChIKey is NXQMGXKSOUTKFQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H10N4/c1-4-11-5-9-10-7(11)6(2)8-3/h4-5H,1H2,2-3H3/b8-6+.
What are the key properties of 1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylethanimine?
1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylethanimine has a molecular weight of 150.18 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylethanimine is sourced from PubChem (CID 134267974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).