4-(diethoxymethyl)-1-(oxolan-3-yl)triazole

C11H19N3O3 — CID 66213944

IUPAC4-(diethoxymethyl)-1-(oxolan-3-yl)triazole
SMILESCCOC(OCC)c1cn(C2CCOC2)nn1
InChIInChI=1S/C11H19N3O3/c1-3-16-11(17-4-2)10-7-14(13-12-10)9-5-6-15-8-9/h7,9,11H,3-6,8H2,1-2H3
InChIKeyAKMWJKCGKNFCQX-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.31
Rot. Bonds6

About 4-(diethoxymethyl)-1-(oxolan-3-yl)triazole

4-(diethoxymethyl)-1-(oxolan-3-yl)triazole (PubChem CID 66213944) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(diethoxymethyl)-1-(oxolan-3-yl)triazole.

Molecular Properties

Compound Name4-(diethoxymethyl)-1-(oxolan-3-yl)triazole
PubChem CID66213944
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-(diethoxymethyl)-1-(oxolan-3-yl)triazole
SMILESCCOC(OCC)c1cn(C2CCOC2)nn1
InChIInChI=1S/C11H19N3O3/c1-3-16-11(17-4-2)10-7-14(13-12-10)9-5-6-15-8-9/h7,9,11H,3-6,8H2,1-2H3
InChIKeyAKMWJKCGKNFCQX-UHFFFAOYSA-N
XLogP1.31
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(diethoxymethyl)-1-(oxolan-3-yl)triazole?
The IUPAC name of 4-(diethoxymethyl)-1-(oxolan-3-yl)triazole (CID 66213944) is 4-(diethoxymethyl)-1-(oxolan-3-yl)triazole.
What is the SMILES notation for 4-(diethoxymethyl)-1-(oxolan-3-yl)triazole?
The canonical SMILES for 4-(diethoxymethyl)-1-(oxolan-3-yl)triazole is CCOC(OCC)c1cn(C2CCOC2)nn1.
What is the InChIKey of 4-(diethoxymethyl)-1-(oxolan-3-yl)triazole?
The InChIKey is AKMWJKCGKNFCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-16-11(17-4-2)10-7-14(13-12-10)9-5-6-15-8-9/h7,9,11H,3-6,8H2,1-2H3.
What are the key properties of 4-(diethoxymethyl)-1-(oxolan-3-yl)triazole?
4-(diethoxymethyl)-1-(oxolan-3-yl)triazole has a molecular weight of 241.29 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxymethyl)-1-(oxolan-3-yl)triazole is sourced from PubChem (CID 66213944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).