1-(2,2-dimethylpropyl)-4-(ethoxymethyl)triazole

C10H19N3O — CID 137417176

IUPAC1-(2,2-dimethylpropyl)-4-(ethoxymethyl)triazole
SMILESCCOCc1cn(CC(C)(C)C)nn1
InChIInChI=1S/C10H19N3O/c1-5-14-7-9-6-13(12-11-9)8-10(2,3)4/h6H,5,7-8H2,1-4H3
InChIKeyYAFKRWMVSZIZIS-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.86
Rot. Bonds4

About 1-(2,2-dimethylpropyl)-4-(ethoxymethyl)triazole

1-(2,2-dimethylpropyl)-4-(ethoxymethyl)triazole (PubChem CID 137417176) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-(ethoxymethyl)triazole.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-(ethoxymethyl)triazole
PubChem CID137417176
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(2,2-dimethylpropyl)-4-(ethoxymethyl)triazole
SMILESCCOCc1cn(CC(C)(C)C)nn1
InChIInChI=1S/C10H19N3O/c1-5-14-7-9-6-13(12-11-9)8-10(2,3)4/h6H,5,7-8H2,1-4H3
InChIKeyYAFKRWMVSZIZIS-UHFFFAOYSA-N
XLogP1.86
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(2-ethoxyethyl)triazol-4-yl]methoxy]-2,2-dimethylbutanoic acid
CID 163968135
1-(2,2-dimethylpentyl)-4-(2-methylpentan-2-yloxymethyl)triazole
CID 123155360
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole
CID 144977277
4-[[4-(ethoxymethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 167810001
1-ethyl-4-(sulfanyloxymethyl)triazole
CID 177230256
1-[4-[2-[[1-(3,3-dimethyl-2-methylidenebutyl)triazol-4-yl]methoxy]ethoxymethyl]triazol-1-yl]-3,3-dimethylbutan-2-one
CID 168842019
ethane;ethanol;hydrogen peroxide;4-(methoxymethyl)-1-(2,2,4-trimethylpentyl)triazole
CID 167448164
4-(2,2-dimethylpropyl)-1-[2-(2-propoxyethoxy)ethyl]triazole
CID 158140724
1-[4-[[3-[[1-(2-oxopropyl)triazol-4-yl]methoxy]-2,2-bis[[1-(2-oxopropyl)triazol-4-yl]methoxymethyl]propoxy]methyl]triazol-1-yl]propan-2-one
CID 164930169
methyl 1-(2,2-dimethylpropyl)triazole-4-carboxylate
CID 58459637
ethyl 2,2-difluoro-3-[4-(2-hydroxyethyl)triazol-1-yl]propanoate
CID 165487903
1-(3,3-dimethylbutoxymethyl)-4-(2,2-dimethylpropyl)triazole
CID 171587035

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-(ethoxymethyl)triazole?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-(ethoxymethyl)triazole (CID 137417176) is 1-(2,2-dimethylpropyl)-4-(ethoxymethyl)triazole.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-(ethoxymethyl)triazole?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-(ethoxymethyl)triazole is CCOCc1cn(CC(C)(C)C)nn1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-(ethoxymethyl)triazole?
The InChIKey is YAFKRWMVSZIZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-14-7-9-6-13(12-11-9)8-10(2,3)4/h6H,5,7-8H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-(ethoxymethyl)triazole?
1-(2,2-dimethylpropyl)-4-(ethoxymethyl)triazole has a molecular weight of 197.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-(ethoxymethyl)triazole is sourced from PubChem (CID 137417176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).