1-(2-ethoxyethyl)-5-pentoxy-4,5-dihydrotriazole

C11H23N3O2 — CID 12538939

IUPAC1-(2-ethoxyethyl)-5-pentoxy-4,5-dihydrotriazole
SMILESCCCCCOC1CN=NN1CCOCC
InChIInChI=1S/C11H23N3O2/c1-3-5-6-8-16-11-10-12-13-14(11)7-9-15-4-2/h11H,3-10H2,1-2H3
InChIKeyKHUSFAUZBUHGQG-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.24
Rot. Bonds9

About 1-(2-ethoxyethyl)-5-pentoxy-4,5-dihydrotriazole

1-(2-ethoxyethyl)-5-pentoxy-4,5-dihydrotriazole (PubChem CID 12538939) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-5-pentoxy-4,5-dihydrotriazole.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-5-pentoxy-4,5-dihydrotriazole
PubChem CID12538939
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name1-(2-ethoxyethyl)-5-pentoxy-4,5-dihydrotriazole
SMILESCCCCCOC1CN=NN1CCOCC
InChIInChI=1S/C11H23N3O2/c1-3-5-6-8-16-11-10-12-13-14(11)7-9-15-4-2/h11H,3-10H2,1-2H3
InChIKeyKHUSFAUZBUHGQG-UHFFFAOYSA-N
XLogP2.24
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropoxy)tetradecane
CID 91693148
ethane;1-(5-ethoxypentyl)-4-pentylpiperazine
CID 142365396
1,5-dipentyl-4,5-dihydrotriazole
CID 67937097
heptoxycyclopropane
CID 54099544
1-methyl-2-pentoxypiperidine
CID 174740855
1-butyl-4-(5-ethoxypentyl)piperazine
CID 142365630
1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]dodecane
CID 175686372
1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]octane
CID 175685781
1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane
CID 175685461
3-pentoxy-1-pentylpyrrolidine
CID 67812349
1,3,5-tris(2-butoxyethyl)-1,3,5-triazinane
CID 142761173
1-ethoxy-4-hexoxycyclohexane
CID 147022477

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-5-pentoxy-4,5-dihydrotriazole?
The IUPAC name of 1-(2-ethoxyethyl)-5-pentoxy-4,5-dihydrotriazole (CID 12538939) is 1-(2-ethoxyethyl)-5-pentoxy-4,5-dihydrotriazole.
What is the SMILES notation for 1-(2-ethoxyethyl)-5-pentoxy-4,5-dihydrotriazole?
The canonical SMILES for 1-(2-ethoxyethyl)-5-pentoxy-4,5-dihydrotriazole is CCCCCOC1CN=NN1CCOCC.
What is the InChIKey of 1-(2-ethoxyethyl)-5-pentoxy-4,5-dihydrotriazole?
The InChIKey is KHUSFAUZBUHGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-5-6-8-16-11-10-12-13-14(11)7-9-15-4-2/h11H,3-10H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-5-pentoxy-4,5-dihydrotriazole?
1-(2-ethoxyethyl)-5-pentoxy-4,5-dihydrotriazole has a molecular weight of 229.32 g/mol, XLogP of 2.24, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-5-pentoxy-4,5-dihydrotriazole is sourced from PubChem (CID 12538939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).