ethane;4-methyl-1-(2-propoxyethyl)triazole

C10H21N3O — CID 156729462

IUPACethane;4-methyl-1-(2-propoxyethyl)triazole
SMILESCC.CCCOCCn1cc(C)nn1
InChIInChI=1S/C8H15N3O.C2H6/c1-3-5-12-6-4-11-7-8(2)9-10-11;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyNYPXRUZJRFNQIJ-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.04
Rot. Bonds5

About ethane;4-methyl-1-(2-propoxyethyl)triazole

ethane;4-methyl-1-(2-propoxyethyl)triazole (PubChem CID 156729462) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is ethane;4-methyl-1-(2-propoxyethyl)triazole.

Molecular Properties

Compound Nameethane;4-methyl-1-(2-propoxyethyl)triazole
PubChem CID156729462
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Nameethane;4-methyl-1-(2-propoxyethyl)triazole
SMILESCC.CCCOCCn1cc(C)nn1
InChIInChI=1S/C8H15N3O.C2H6/c1-3-5-12-6-4-11-7-8(2)9-10-11;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyNYPXRUZJRFNQIJ-UHFFFAOYSA-N
XLogP2.04
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole
CID 156729649
ethane;2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 176965815
ethane;4-methyl-1-[2-[2-(2-sulfanyloxyethoxy)ethoxy]ethyl]triazole
CID 144977266
4-methyl-1-propyltriazole
CID 59256869
N-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155582503
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
4-(2-methylpropyl)-1-(2-propoxyethyl)triazole
CID 118041077
4-(2,2-dimethylpropyl)-1-[2-(2-propoxyethoxy)ethyl]triazole
CID 158140724
N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine
CID 62450786
ethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol
CID 177359615
1-ethyl-4-methyltriazole
CID 58612101
3-[1-(2-propoxyethyl)triazol-4-yl]propanoic acid
CID 107461014

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-(2-propoxyethyl)triazole?
The IUPAC name of ethane;4-methyl-1-(2-propoxyethyl)triazole (CID 156729462) is ethane;4-methyl-1-(2-propoxyethyl)triazole.
What is the SMILES notation for ethane;4-methyl-1-(2-propoxyethyl)triazole?
The canonical SMILES for ethane;4-methyl-1-(2-propoxyethyl)triazole is CC.CCCOCCn1cc(C)nn1.
What is the InChIKey of ethane;4-methyl-1-(2-propoxyethyl)triazole?
The InChIKey is NYPXRUZJRFNQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O.C2H6/c1-3-5-12-6-4-11-7-8(2)9-10-11;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-1-(2-propoxyethyl)triazole?
ethane;4-methyl-1-(2-propoxyethyl)triazole has a molecular weight of 199.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-(2-propoxyethyl)triazole is sourced from PubChem (CID 156729462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).