ethane;5-ethoxy-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one

C10H21N3O2 — CID 178164887

IUPACethane;5-ethoxy-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCC.CCOc1nn(C)c(=O)n1C(C)C
InChIInChI=1S/C8H15N3O2.C2H6/c1-5-13-7-9-10(4)8(12)11(7)6(2)3;1-2/h6H,5H2,1-4H3;1-2H3
InChIKeyHTKJDDUGHZAECK-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.59
Rot. Bonds3

About ethane;5-ethoxy-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one

ethane;5-ethoxy-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one (PubChem CID 178164887) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is ethane;5-ethoxy-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Nameethane;5-ethoxy-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
PubChem CID178164887
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Nameethane;5-ethoxy-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCC.CCOc1nn(C)c(=O)n1C(C)C
InChIInChI=1S/C8H15N3O2.C2H6/c1-5-13-7-9-10(4)8(12)11(7)6(2)3;1-2/h6H,5H2,1-4H3;1-2H3
InChIKeyHTKJDDUGHZAECK-UHFFFAOYSA-N
XLogP1.59
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(difluoromethoxy)-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 178109150
4,5-diethoxy-2-methyl-1,2,4-triazol-3-one
CID 22973876
3-ethoxy-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 45096531
3-(bromomethyl)-5-ethoxy-4-propan-2-yl-1,2,4-triazole
CID 115399000
2,4-dimethyl-5-propoxy-1,2,4-triazol-3-one
CID 22973872
2-(5-ethoxy-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 83880339
5-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 90541217
5-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 90541228
6-bromo-2-ethoxy-4-fluoro-1-propan-2-ylbenzimidazole
CID 138622341
1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane-2,4,6-trione
CID 142286951
2-ethoxy-1-methylpyrimidin-4-one
CID 91621021
1-ethyl-3,5-di(propan-2-yl)pyrimidine-2,4-dione
CID 166717073

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethoxy-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
The IUPAC name of ethane;5-ethoxy-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one (CID 178164887) is ethane;5-ethoxy-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one.
What is the SMILES notation for ethane;5-ethoxy-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
The canonical SMILES for ethane;5-ethoxy-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one is CC.CCOc1nn(C)c(=O)n1C(C)C.
What is the InChIKey of ethane;5-ethoxy-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
The InChIKey is HTKJDDUGHZAECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2.C2H6/c1-5-13-7-9-10(4)8(12)11(7)6(2)3;1-2/h6H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;5-ethoxy-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
ethane;5-ethoxy-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one has a molecular weight of 215.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethoxy-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 178164887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).