4-ethoxy-1,2,4-triazole

C4H7N3O — CID 18946583

IUPAC4-ethoxy-1,2,4-triazole
SMILESCCOn1cnnc1
InChIInChI=1S/C4H7N3O/c1-2-8-7-3-5-6-4-7/h3-4H,2H2,1H3
InChIKeyKCEHPNUPNMVPBQ-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.27
Rot. Bonds2

About 4-ethoxy-1,2,4-triazole

4-ethoxy-1,2,4-triazole (PubChem CID 18946583) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 4-ethoxy-1,2,4-triazole.

Molecular Properties

Compound Name4-ethoxy-1,2,4-triazole
PubChem CID18946583
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name4-ethoxy-1,2,4-triazole
SMILESCCOn1cnnc1
InChIInChI=1S/C4H7N3O/c1-2-8-7-3-5-6-4-7/h3-4H,2H2,1H3
InChIKeyKCEHPNUPNMVPBQ-UHFFFAOYSA-N
XLogP-0.27
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
1-Methoxy-1,2,4-triazole
CID 19910162
1-(Butoxymethyl)-1,2,4-triazole
CID 20581916
3-Ethoxy-4-methyl-1,2,4-triazole
CID 54201153
1,2,4-Triazol-1-yl acetate
CID 69350872
1-Propoxy-1,2,4-triazole
CID 91327085
N-methoxy-N-methyl-1,2,4-triazol-1-amine
CID 129180329
N-ethoxy-1-(1,2,4-triazol-1-yl)methanimine
CID 141263804

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1,2,4-triazole?
The IUPAC name of 4-ethoxy-1,2,4-triazole (CID 18946583) is 4-ethoxy-1,2,4-triazole.
What is the SMILES notation for 4-ethoxy-1,2,4-triazole?
The canonical SMILES for 4-ethoxy-1,2,4-triazole is CCOn1cnnc1.
What is the InChIKey of 4-ethoxy-1,2,4-triazole?
The InChIKey is KCEHPNUPNMVPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-2-8-7-3-5-6-4-7/h3-4H,2H2,1H3.
What are the key properties of 4-ethoxy-1,2,4-triazole?
4-ethoxy-1,2,4-triazole has a molecular weight of 113.12 g/mol, XLogP of -0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1,2,4-triazole is sourced from PubChem (CID 18946583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).