N-ethoxy-1-(1,2,4-triazol-1-yl)methanimine

C5H8N4O — CID 141263804

IUPACN-ethoxy-1-(1,2,4-triazol-1-yl)methanimine
SMILESCCON=Cn1cncn1
InChIInChI=1S/C5H8N4O/c1-2-10-8-5-9-4-6-3-7-9/h3-5H,2H2,1H3
InChIKeyFBGYRRQZZCEUOQ-UHFFFAOYSA-N
MW140.15 g/mol
LogP0.11
Rot. Bonds3

About N-ethoxy-1-(1,2,4-triazol-1-yl)methanimine

N-ethoxy-1-(1,2,4-triazol-1-yl)methanimine (PubChem CID 141263804) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is N-ethoxy-1-(1,2,4-triazol-1-yl)methanimine.

Molecular Properties

Compound NameN-ethoxy-1-(1,2,4-triazol-1-yl)methanimine
PubChem CID141263804
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC NameN-ethoxy-1-(1,2,4-triazol-1-yl)methanimine
SMILESCCON=Cn1cncn1
InChIInChI=1S/C5H8N4O/c1-2-10-8-5-9-4-6-3-7-9/h3-5H,2H2,1H3
InChIKeyFBGYRRQZZCEUOQ-UHFFFAOYSA-N
XLogP0.11
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Ethoxy-1,2,4-triazole
CID 91228709
1-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethoxy)methanimine
CID 142396867
(E)-1-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethoxy)methanimine
CID 166782094
5-chloro-1-(ethoxymethyl)-1H-1,2,4-triazole
CID 110205620
1-Ethoxymethyl-1,2,4-triazole
CID 3823094
4-Ethoxy-1,2,4-triazole
CID 18946583
1-(Butoxymethyl)-1,2,4-triazole
CID 20581916
3-Ethoxy-4-methyl-1,2,4-triazole
CID 54201153
3-(2-Methoxyethoxy)-1-methyl-1,2,4-triazole
CID 67757502
7-Ethoxy-[1,2,4]triazolo[4,3-b][1,2,4]triazole
CID 69459697
1-(Butan-2-yloxymethyl)-1,2,4-triazole
CID 70453173
1-Propoxy-1,2,4-triazole
CID 91327085

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(1,2,4-triazol-1-yl)methanimine?
The IUPAC name of N-ethoxy-1-(1,2,4-triazol-1-yl)methanimine (CID 141263804) is N-ethoxy-1-(1,2,4-triazol-1-yl)methanimine.
What is the SMILES notation for N-ethoxy-1-(1,2,4-triazol-1-yl)methanimine?
The canonical SMILES for N-ethoxy-1-(1,2,4-triazol-1-yl)methanimine is CCON=Cn1cncn1.
What is the InChIKey of N-ethoxy-1-(1,2,4-triazol-1-yl)methanimine?
The InChIKey is FBGYRRQZZCEUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-2-10-8-5-9-4-6-3-7-9/h3-5H,2H2,1H3.
What are the key properties of N-ethoxy-1-(1,2,4-triazol-1-yl)methanimine?
N-ethoxy-1-(1,2,4-triazol-1-yl)methanimine has a molecular weight of 140.15 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(1,2,4-triazol-1-yl)methanimine is sourced from PubChem (CID 141263804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).