3-[4-(diethoxymethyl)triazol-1-yl]propan-1-ol

C10H19N3O3 — CID 11550396

IUPAC3-[4-(diethoxymethyl)triazol-1-yl]propan-1-ol
SMILESCCOC(OCC)c1cn(CCCO)nn1
InChIInChI=1S/C10H19N3O3/c1-3-15-10(16-4-2)9-8-13(12-11-9)6-5-7-14/h8,10,14H,3-7H2,1-2H3
InChIKeyFROKLAGSBMWCRB-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.73
Rot. Bonds8

About 3-[4-(diethoxymethyl)triazol-1-yl]propan-1-ol

3-[4-(diethoxymethyl)triazol-1-yl]propan-1-ol (PubChem CID 11550396) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[4-(diethoxymethyl)triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(diethoxymethyl)triazol-1-yl]propan-1-ol
PubChem CID11550396
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name3-[4-(diethoxymethyl)triazol-1-yl]propan-1-ol
SMILESCCOC(OCC)c1cn(CCCO)nn1
InChIInChI=1S/C10H19N3O3/c1-3-15-10(16-4-2)9-8-13(12-11-9)6-5-7-14/h8,10,14H,3-7H2,1-2H3
InChIKeyFROKLAGSBMWCRB-UHFFFAOYSA-N
XLogP0.73
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
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 3-[4-(diethoxymethyl)triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(diethoxymethyl)triazol-1-yl]propan-1-ol (CID 11550396) is 3-[4-(diethoxymethyl)triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(diethoxymethyl)triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(diethoxymethyl)triazol-1-yl]propan-1-ol is CCOC(OCC)c1cn(CCCO)nn1.
What is the InChIKey of 3-[4-(diethoxymethyl)triazol-1-yl]propan-1-ol?
The InChIKey is FROKLAGSBMWCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-3-15-10(16-4-2)9-8-13(12-11-9)6-5-7-14/h8,10,14H,3-7H2,1-2H3.
What are the key properties of 3-[4-(diethoxymethyl)triazol-1-yl]propan-1-ol?
3-[4-(diethoxymethyl)triazol-1-yl]propan-1-ol has a molecular weight of 229.28 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethoxymethyl)triazol-1-yl]propan-1-ol is sourced from PubChem (CID 11550396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).