3,5-dicyclopropyl-1-(2-ethoxyethyl)-1,2,4-triazole

C12H19N3O — CID 84600856

IUPAC3,5-dicyclopropyl-1-(2-ethoxyethyl)-1,2,4-triazole
SMILESCCOCCn1nc(C2CC2)nc1C1CC1
InChIInChI=1S/C12H19N3O/c1-2-16-8-7-15-12(10-5-6-10)13-11(14-15)9-3-4-9/h9-10H,2-8H2,1H3
InChIKeyXHOXJFWIAPKEFD-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.07
Rot. Bonds6

About 3,5-dicyclopropyl-1-(2-ethoxyethyl)-1,2,4-triazole

3,5-dicyclopropyl-1-(2-ethoxyethyl)-1,2,4-triazole (PubChem CID 84600856) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3,5-dicyclopropyl-1-(2-ethoxyethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dicyclopropyl-1-(2-ethoxyethyl)-1,2,4-triazole
PubChem CID84600856
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3,5-dicyclopropyl-1-(2-ethoxyethyl)-1,2,4-triazole
SMILESCCOCCn1nc(C2CC2)nc1C1CC1
InChIInChI=1S/C12H19N3O/c1-2-16-8-7-15-12(10-5-6-10)13-11(14-15)9-3-4-9/h9-10H,2-8H2,1H3
InChIKeyXHOXJFWIAPKEFD-UHFFFAOYSA-N
XLogP2.07
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.07
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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Frequently Asked Questions

What is the IUPAC name of 3,5-dicyclopropyl-1-(2-ethoxyethyl)-1,2,4-triazole?
The IUPAC name of 3,5-dicyclopropyl-1-(2-ethoxyethyl)-1,2,4-triazole (CID 84600856) is 3,5-dicyclopropyl-1-(2-ethoxyethyl)-1,2,4-triazole.
What is the SMILES notation for 3,5-dicyclopropyl-1-(2-ethoxyethyl)-1,2,4-triazole?
The canonical SMILES for 3,5-dicyclopropyl-1-(2-ethoxyethyl)-1,2,4-triazole is CCOCCn1nc(C2CC2)nc1C1CC1.
What is the InChIKey of 3,5-dicyclopropyl-1-(2-ethoxyethyl)-1,2,4-triazole?
The InChIKey is XHOXJFWIAPKEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-16-8-7-15-12(10-5-6-10)13-11(14-15)9-3-4-9/h9-10H,2-8H2,1H3.
What are the key properties of 3,5-dicyclopropyl-1-(2-ethoxyethyl)-1,2,4-triazole?
3,5-dicyclopropyl-1-(2-ethoxyethyl)-1,2,4-triazole has a molecular weight of 221.30 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dicyclopropyl-1-(2-ethoxyethyl)-1,2,4-triazole is sourced from PubChem (CID 84600856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).