5-(ethoxymethyl)-2,4-dimethyl-1,2,4-triazol-3-one

C7H13N3O2 — CID 22973901

IUPAC5-(ethoxymethyl)-2,4-dimethyl-1,2,4-triazol-3-one
SMILESCCOCc1nn(C)c(=O)n1C
InChIInChI=1S/C7H13N3O2/c1-4-12-5-6-8-10(3)7(11)9(6)2/h4-5H2,1-3H3
InChIKeyGEENQVCRUZPEJW-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.34
Rot. Bonds3

About 5-(ethoxymethyl)-2,4-dimethyl-1,2,4-triazol-3-one

5-(ethoxymethyl)-2,4-dimethyl-1,2,4-triazol-3-one (PubChem CID 22973901) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-(ethoxymethyl)-2,4-dimethyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(ethoxymethyl)-2,4-dimethyl-1,2,4-triazol-3-one
PubChem CID22973901
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name5-(ethoxymethyl)-2,4-dimethyl-1,2,4-triazol-3-one
SMILESCCOCc1nn(C)c(=O)n1C
InChIInChI=1S/C7H13N3O2/c1-4-12-5-6-8-10(3)7(11)9(6)2/h4-5H2,1-3H3
InChIKeyGEENQVCRUZPEJW-UHFFFAOYSA-N
XLogP-0.34
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-2,4-dimethyl-1,2,4-triazol-3-one?
The IUPAC name of 5-(ethoxymethyl)-2,4-dimethyl-1,2,4-triazol-3-one (CID 22973901) is 5-(ethoxymethyl)-2,4-dimethyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(ethoxymethyl)-2,4-dimethyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-(ethoxymethyl)-2,4-dimethyl-1,2,4-triazol-3-one is CCOCc1nn(C)c(=O)n1C.
What is the InChIKey of 5-(ethoxymethyl)-2,4-dimethyl-1,2,4-triazol-3-one?
The InChIKey is GEENQVCRUZPEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-4-12-5-6-8-10(3)7(11)9(6)2/h4-5H2,1-3H3.
What are the key properties of 5-(ethoxymethyl)-2,4-dimethyl-1,2,4-triazol-3-one?
5-(ethoxymethyl)-2,4-dimethyl-1,2,4-triazol-3-one has a molecular weight of 171.20 g/mol, XLogP of -0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-2,4-dimethyl-1,2,4-triazol-3-one is sourced from PubChem (CID 22973901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).