3-(2-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one

C6H11N3O2 — CID 143166742

IUPAC3-(2-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one
SMILESCOCCc1n[nH]c(=O)n1C
InChIInChI=1S/C6H11N3O2/c1-9-5(3-4-11-2)7-8-6(9)10/h3-4H2,1-2H3,(H,8,10)
InChIKeyRAAPSVHGUICXFP-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.70
Rot. Bonds3

About 3-(2-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one

3-(2-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one (PubChem CID 143166742) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one
PubChem CID143166742
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name3-(2-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one
SMILESCOCCc1n[nH]c(=O)n1C
InChIInChI=1S/C6H11N3O2/c1-9-5(3-4-11-2)7-8-6(9)10/h3-4H2,1-2H3,(H,8,10)
InChIKeyRAAPSVHGUICXFP-UHFFFAOYSA-N
XLogP-0.70
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(2-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one (CID 143166742) is 3-(2-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(2-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(2-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one is COCCc1n[nH]c(=O)n1C.
What is the InChIKey of 3-(2-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is RAAPSVHGUICXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-9-5(3-4-11-2)7-8-6(9)10/h3-4H2,1-2H3,(H,8,10).
What are the key properties of 3-(2-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one?
3-(2-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 157.17 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 143166742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).