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

C4H6N4 — CID 54193303

IUPACN-(1H-1,2,4-triazol-5-yl)ethanimine
SMILESCC=Nc1ncn[nH]1
InChIInChI=1S/C4H6N4/c1-2-5-4-6-3-7-8-4/h2-3H,1H3,(H,6,7,8)
InChIKeyPKACHJHYYGTHHG-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.53
Rot. Bonds1

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

N-(1H-1,2,4-triazol-5-yl)ethanimine (PubChem CID 54193303) has the molecular formula C4H6N4 and a molecular weight of 110.12 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)ethanimine.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)ethanimine
PubChem CID54193303
Molecular FormulaC4H6N4
Molecular Weight110.12 g/mol
Exact Mass110.06
IUPAC NameN-(1H-1,2,4-triazol-5-yl)ethanimine
SMILESCC=Nc1ncn[nH]1
InChIInChI=1S/C4H6N4/c1-2-5-4-6-3-7-8-4/h2-3H,1H3,(H,6,7,8)
InChIKeyPKACHJHYYGTHHG-UHFFFAOYSA-N
XLogP0.53
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(1H-1,2,4-triazol-5-yl)ethanimine?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)ethanimine (CID 54193303) is N-(1H-1,2,4-triazol-5-yl)ethanimine.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)ethanimine?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)ethanimine is CC=Nc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)ethanimine?
The InChIKey is PKACHJHYYGTHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4/c1-2-5-4-6-3-7-8-4/h2-3H,1H3,(H,6,7,8).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)ethanimine?
N-(1H-1,2,4-triazol-5-yl)ethanimine has a molecular weight of 110.12 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)ethanimine is sourced from PubChem (CID 54193303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).