(E)-N-(1H-1,2,4-triazol-5-yl)ethanimine

C4H6N4 — CID 20577180

IUPAC(E)-N-(1H-1,2,4-triazol-5-yl)ethanimine
SMILESC/C=N/C1=NC=NN1
InChIInChI=1S/C4H6N4/c1-2-5-4-6-3-7-8-4/h2-3H,1H3,(H,6,7,8)/b5-2+
InChIKeyPKACHJHYYGTHHG-GORDUTHDSA-N
MW110.12 g/mol
LogP0.00
Rot. Bonds1

About (E)-N-(1H-1,2,4-triazol-5-yl)ethanimine

(E)-N-(1H-1,2,4-triazol-5-yl)ethanimine (PubChem CID 20577180) has the molecular formula C4H6N4 and a molecular weight of 110.12 g/mol. Its IUPAC name is (E)-N-(1H-1,2,4-triazol-5-yl)ethanimine.

Molecular Properties

Compound Name(E)-N-(1H-1,2,4-triazol-5-yl)ethanimine
PubChem CID20577180
Molecular FormulaC4H6N4
Molecular Weight110.12 g/mol
Exact Mass110.06
IUPAC Name(E)-N-(1H-1,2,4-triazol-5-yl)ethanimine
SMILESC/C=N/C1=NC=NN1
InChIInChI=1S/C4H6N4/c1-2-5-4-6-3-7-8-4/h2-3H,1H3,(H,6,7,8)/b5-2+
InChIKeyPKACHJHYYGTHHG-GORDUTHDSA-N
XLogP0.00
TPSA53.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity90

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1H-1,2,4-triazol-5-yl)ethanimine?
The IUPAC name of (E)-N-(1H-1,2,4-triazol-5-yl)ethanimine (CID 20577180) is (E)-N-(1H-1,2,4-triazol-5-yl)ethanimine.
What is the SMILES notation for (E)-N-(1H-1,2,4-triazol-5-yl)ethanimine?
The canonical SMILES for (E)-N-(1H-1,2,4-triazol-5-yl)ethanimine is C/C=N/C1=NC=NN1.
What is the InChIKey of (E)-N-(1H-1,2,4-triazol-5-yl)ethanimine?
The InChIKey is PKACHJHYYGTHHG-GORDUTHDSA-N. The full InChI is InChI=1S/C4H6N4/c1-2-5-4-6-3-7-8-4/h2-3H,1H3,(H,6,7,8)/b5-2+.
What are the key properties of (E)-N-(1H-1,2,4-triazol-5-yl)ethanimine?
(E)-N-(1H-1,2,4-triazol-5-yl)ethanimine has a molecular weight of 110.12 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1H-1,2,4-triazol-5-yl)ethanimine is sourced from PubChem (CID 20577180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).