[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine

C10H20N4O2 — CID 63684971

IUPAC[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
SMILESCCCOCCOCCn1cc(CN)nn1
InChIInChI=1S/C10H20N4O2/c1-2-4-15-6-7-16-5-3-14-9-10(8-11)12-13-14/h9H,2-8,11H2,1H3
InChIKeyOFYURNUVAOWQIN-UHFFFAOYSA-N
MW228.30 g/mol
LogP0.18
Rot. Bonds9

About [1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine

[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine (PubChem CID 63684971) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is [1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
PubChem CID63684971
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
SMILESCCCOCCOCCn1cc(CN)nn1
InChIInChI=1S/C10H20N4O2/c1-2-4-15-6-7-16-5-3-14-9-10(8-11)12-13-14/h9H,2-8,11H2,1H3
InChIKeyOFYURNUVAOWQIN-UHFFFAOYSA-N
XLogP0.18
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-dimethylpropyl)-1-[2-(2-propoxyethoxy)ethyl]triazole
CID 158140724
4-(2-methylpropyl)-1-(2-propoxyethyl)triazole
CID 118041077
N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine
CID 62450786
[1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine
CID 106667738
[1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 62455620
3-[1-(2-propoxyethyl)triazol-4-yl]propanoic acid
CID 107461014
ethane;4-methyl-1-(2-propoxyethyl)triazole
CID 156729462
1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole
CID 167478835
4-methyl-1-[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]pentan-3-one
CID 167447960
[1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine
CID 62455320
[1-(2-phenylmethoxyethyl)triazol-4-yl]methanamine
CID 62444449
[1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine
CID 62456677

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine (CID 63684971) is [1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine is CCCOCCOCCn1cc(CN)nn1.
What is the InChIKey of [1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine?
The InChIKey is OFYURNUVAOWQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-2-4-15-6-7-16-5-3-14-9-10(8-11)12-13-14/h9H,2-8,11H2,1H3.
What are the key properties of [1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine?
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine has a molecular weight of 228.30 g/mol, XLogP of 0.18, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 63684971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).