1-(1-ethyl-1,2,4-triazinan-4-yl)ethanimine

C7H16N4 — CID 90999495

IUPAC1-(1-ethyl-1,2,4-triazinan-4-yl)ethanimine
SMILES[H]/N=C(\C)N1CCN(CC)NC1
InChIInChI=1S/C7H16N4/c1-3-11-5-4-10(6-9-11)7(2)8/h8-9H,3-6H2,1-2H3/b8-7+
InChIKeyGNZBCERNORGQGF-BQYQJAHWSA-N
MW156.23 g/mol
LogP0.08
Rot. Bonds1

About 1-(1-ethyl-1,2,4-triazinan-4-yl)ethanimine

1-(1-ethyl-1,2,4-triazinan-4-yl)ethanimine (PubChem CID 90999495) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(1-ethyl-1,2,4-triazinan-4-yl)ethanimine.

Molecular Properties

Compound Name1-(1-ethyl-1,2,4-triazinan-4-yl)ethanimine
PubChem CID90999495
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name1-(1-ethyl-1,2,4-triazinan-4-yl)ethanimine
SMILES[H]/N=C(\C)N1CCN(CC)NC1
InChIInChI=1S/C7H16N4/c1-3-11-5-4-10(6-9-11)7(2)8/h8-9H,3-6H2,1-2H3/b8-7+
InChIKeyGNZBCERNORGQGF-BQYQJAHWSA-N
XLogP0.08
TPSA42.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(1-ethyl-1,2,4-triazinan-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

1-Amino-1-[2-(4-methylpiperazin-1-yl)ethyl]guanidine
CID 67819683
N-amino-N-ethylpiperazine-1-carboximidamide
CID 69629603
4-Ethanimidoylpiperazin-1-amine
CID 143256667
N,4-diamino-N-methylpiperazine-1-carboximidamide
CID 143646511
Ethane;4-ethanimidoylpiperazin-1-amine
CID 144326842
2-imino-N-methylpiperazin-1-amine
CID 144675229
Ethane;2-imino-4-methylpiperazin-1-amine
CID 144986357
4-Methyl-1-(2-methylhydrazinyl)piperazin-2-imine
CID 148808387
N,N'-Dimethylpiperazine-1-carboximidohydrazide
CID 57371017
2-Imino-4-methylpiperazin-1-amine
CID 144986358

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-1,2,4-triazinan-4-yl)ethanimine?
The IUPAC name of 1-(1-ethyl-1,2,4-triazinan-4-yl)ethanimine (CID 90999495) is 1-(1-ethyl-1,2,4-triazinan-4-yl)ethanimine.
What is the SMILES notation for 1-(1-ethyl-1,2,4-triazinan-4-yl)ethanimine?
The canonical SMILES for 1-(1-ethyl-1,2,4-triazinan-4-yl)ethanimine is [H]/N=C(\C)N1CCN(CC)NC1.
What is the InChIKey of 1-(1-ethyl-1,2,4-triazinan-4-yl)ethanimine?
The InChIKey is GNZBCERNORGQGF-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H16N4/c1-3-11-5-4-10(6-9-11)7(2)8/h8-9H,3-6H2,1-2H3/b8-7+.
What are the key properties of 1-(1-ethyl-1,2,4-triazinan-4-yl)ethanimine?
1-(1-ethyl-1,2,4-triazinan-4-yl)ethanimine has a molecular weight of 156.23 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-1,2,4-triazinan-4-yl)ethanimine is sourced from PubChem (CID 90999495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).