N-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine

C7H10N4 — CID 126658881

IUPACN-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine
SMILESC=N/C=C\c1nc(C)nn1C
InChIInChI=1S/C7H10N4/c1-6-9-7(4-5-8-2)11(3)10-6/h4-5H,2H2,1,3H3/b5-4-
InChIKeyOGHNLKTXEVLPPY-PLNGDYQASA-N
MW150.18 g/mol
LogP0.79
Rot. Bonds2

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

N-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine (PubChem CID 126658881) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is N-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine
PubChem CID126658881
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC NameN-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine
SMILESC=N/C=C\c1nc(C)nn1C
InChIInChI=1S/C7H10N4/c1-6-9-7(4-5-8-2)11(3)10-6/h4-5H,2H2,1,3H3/b5-4-
InChIKeyOGHNLKTXEVLPPY-PLNGDYQASA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine?
The IUPAC name of N-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine (CID 126658881) is N-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine is C=N/C=C\c1nc(C)nn1C.
What is the InChIKey of N-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine?
The InChIKey is OGHNLKTXEVLPPY-PLNGDYQASA-N. The full InChI is InChI=1S/C7H10N4/c1-6-9-7(4-5-8-2)11(3)10-6/h4-5H,2H2,1,3H3/b5-4-.
What are the key properties of N-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine?
N-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine has a molecular weight of 150.18 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine is sourced from PubChem (CID 126658881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).