5-chloro-1-(ethoxymethyl)-1,2,4-triazole

C5H8ClN3O — CID 110205620

IUPAC5-chloro-1-(ethoxymethyl)-1,2,4-triazole
SMILESCCOCn1ncnc1Cl
InChIInChI=1S/C5H8ClN3O/c1-2-10-4-9-5(6)7-3-8-9/h3H,2,4H2,1H3
InChIKeyYJQJYQKWAAZAQR-UHFFFAOYSA-N
MW161.59 g/mol
LogP0.93
Rot. Bonds3

About 5-chloro-1-(ethoxymethyl)-1,2,4-triazole

5-chloro-1-(ethoxymethyl)-1,2,4-triazole (PubChem CID 110205620) has the molecular formula C5H8ClN3O and a molecular weight of 161.59 g/mol. Its IUPAC name is 5-chloro-1-(ethoxymethyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-chloro-1-(ethoxymethyl)-1,2,4-triazole
PubChem CID110205620
Molecular FormulaC5H8ClN3O
Molecular Weight161.59 g/mol
Exact Mass161.04
IUPAC Name5-chloro-1-(ethoxymethyl)-1,2,4-triazole
SMILESCCOCn1ncnc1Cl
InChIInChI=1S/C5H8ClN3O/c1-2-10-4-9-5(6)7-3-8-9/h3H,2,4H2,1H3
InChIKeyYJQJYQKWAAZAQR-UHFFFAOYSA-N
XLogP0.93
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(ethoxymethyl)-1,2,4-triazole?
The IUPAC name of 5-chloro-1-(ethoxymethyl)-1,2,4-triazole (CID 110205620) is 5-chloro-1-(ethoxymethyl)-1,2,4-triazole.
What is the SMILES notation for 5-chloro-1-(ethoxymethyl)-1,2,4-triazole?
The canonical SMILES for 5-chloro-1-(ethoxymethyl)-1,2,4-triazole is CCOCn1ncnc1Cl.
What is the InChIKey of 5-chloro-1-(ethoxymethyl)-1,2,4-triazole?
The InChIKey is YJQJYQKWAAZAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3O/c1-2-10-4-9-5(6)7-3-8-9/h3H,2,4H2,1H3.
What are the key properties of 5-chloro-1-(ethoxymethyl)-1,2,4-triazole?
5-chloro-1-(ethoxymethyl)-1,2,4-triazole has a molecular weight of 161.59 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(ethoxymethyl)-1,2,4-triazole is sourced from PubChem (CID 110205620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).