ethane;(Z)-N-(3-ethenyl-1,2,4-triazol-4-yl)ethanimine

C8H14N4 — CID 144846555

IUPACethane;(Z)-N-(3-ethenyl-1,2,4-triazol-4-yl)ethanimine
SMILESC=Cc1nncn1/N=C\C.CC
InChIInChI=1S/C6H8N4.C2H6/c1-3-6-9-7-5-10(6)8-4-2;1-2/h3-5H,1H2,2H3;1-2H3/b8-4-;
InChIKeySGUUFWLGYPHHQU-ZYFYRQFPSA-N
MW166.23 g/mol
LogP1.80
Rot. Bonds2

About ethane;(Z)-N-(3-ethenyl-1,2,4-triazol-4-yl)ethanimine

ethane;(Z)-N-(3-ethenyl-1,2,4-triazol-4-yl)ethanimine (PubChem CID 144846555) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is ethane;(Z)-N-(3-ethenyl-1,2,4-triazol-4-yl)ethanimine.

Molecular Properties

Compound Nameethane;(Z)-N-(3-ethenyl-1,2,4-triazol-4-yl)ethanimine
PubChem CID144846555
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Nameethane;(Z)-N-(3-ethenyl-1,2,4-triazol-4-yl)ethanimine
SMILESC=Cc1nncn1/N=C\C.CC
InChIInChI=1S/C6H8N4.C2H6/c1-3-6-9-7-5-10(6)8-4-2;1-2/h3-5H,1H2,2H3;1-2H3/b8-4-;
InChIKeySGUUFWLGYPHHQU-ZYFYRQFPSA-N
XLogP1.80
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;(Z)-N-(3-ethenyl-1,2,4-triazol-4-yl)ethanimine with MolForge

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

Launch Full Analysis

Related Compounds

7H-Pyrimido(1,2-b)(1,2,4)triazolo(3,4-f)pyridazine, 8,9-dihydro-
CID 158984
3-Ethenyl-1-sulfanyl-1,2,4-triazole
CID 23225434
1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 56977342
1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57246645
1-Prop-2-enyl-1,2,4-triazole-3-carbonitrile
CID 60710153
6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine
CID 68709462
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
(1-Prop-2-enyl-1,2,4-triazol-3-yl)methanamine
CID 81672638
5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 90201343
1-But-2-enyl-3,5-dimethyl-1,2,4-triazole
CID 91278220
5-Ethenyl-1-methyl-1,2,4-triazole
CID 115011042
5-Ethenyl-1-propan-2-yl-1,2,4-triazole
CID 115011320

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-(3-ethenyl-1,2,4-triazol-4-yl)ethanimine?
The IUPAC name of ethane;(Z)-N-(3-ethenyl-1,2,4-triazol-4-yl)ethanimine (CID 144846555) is ethane;(Z)-N-(3-ethenyl-1,2,4-triazol-4-yl)ethanimine.
What is the SMILES notation for ethane;(Z)-N-(3-ethenyl-1,2,4-triazol-4-yl)ethanimine?
The canonical SMILES for ethane;(Z)-N-(3-ethenyl-1,2,4-triazol-4-yl)ethanimine is C=Cc1nncn1/N=C\C.CC.
What is the InChIKey of ethane;(Z)-N-(3-ethenyl-1,2,4-triazol-4-yl)ethanimine?
The InChIKey is SGUUFWLGYPHHQU-ZYFYRQFPSA-N. The full InChI is InChI=1S/C6H8N4.C2H6/c1-3-6-9-7-5-10(6)8-4-2;1-2/h3-5H,1H2,2H3;1-2H3/b8-4-;.
What are the key properties of ethane;(Z)-N-(3-ethenyl-1,2,4-triazol-4-yl)ethanimine?
ethane;(Z)-N-(3-ethenyl-1,2,4-triazol-4-yl)ethanimine has a molecular weight of 166.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-(3-ethenyl-1,2,4-triazol-4-yl)ethanimine is sourced from PubChem (CID 144846555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).