1-(2-ethoxypropyl)triazole

C7H13N3O — CID 57039727

IUPAC1-(2-ethoxypropyl)triazole
SMILESCCOC(C)Cn1ccnn1
InChIInChI=1S/C7H13N3O/c1-3-11-7(2)6-10-5-4-8-9-10/h4-5,7H,3,6H2,1-2H3
InChIKeyGWBOZRAOETVHRA-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.70
Rot. Bonds4

About 1-(2-ethoxypropyl)triazole

1-(2-ethoxypropyl)triazole (PubChem CID 57039727) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(2-ethoxypropyl)triazole.

Molecular Properties

Compound Name1-(2-ethoxypropyl)triazole
PubChem CID57039727
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-(2-ethoxypropyl)triazole
SMILESCCOC(C)Cn1ccnn1
InChIInChI=1S/C7H13N3O/c1-3-11-7(2)6-10-5-4-8-9-10/h4-5,7H,3,6H2,1-2H3
InChIKeyGWBOZRAOETVHRA-UHFFFAOYSA-N
XLogP0.70
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-(2-methoxyethyl)-1H-1,2,3-triazole
CID 165506006
1-[(3R,4R)-4-fluorooxolan-3-yl]triazole
CID 174222679
1-[3-(2,2,2-Trifluoroethoxy)propyl]triazole
CID 86798911
1-[2-(2,2,3,3-Tetrafluoropropoxy)ethyl]triazole
CID 91651234
1-fluoro-3-(1H-1,2,3-triazol-1-yl)propan-2-ol
CID 165600796
1-(2-Ethoxyethyl)triazole
CID 12538950
2-[(1H-1,2,3-Triazol-1-yl)methyl]morpholine
CID 18329925
1-Ethoxymethyl-1,2,3-triazole
CID 18680648
4-(Triazol-1-yl)butan-2-ol
CID 18913569
3-(Triazol-1-yl)butan-2-ol
CID 21759550
1-(Triazol-1-yl)propan-2-ol
CID 22114362
1-(Triazol-1-yl)butan-2-ol
CID 22122378

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxypropyl)triazole?
The IUPAC name of 1-(2-ethoxypropyl)triazole (CID 57039727) is 1-(2-ethoxypropyl)triazole.
What is the SMILES notation for 1-(2-ethoxypropyl)triazole?
The canonical SMILES for 1-(2-ethoxypropyl)triazole is CCOC(C)Cn1ccnn1.
What is the InChIKey of 1-(2-ethoxypropyl)triazole?
The InChIKey is GWBOZRAOETVHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-11-7(2)6-10-5-4-8-9-10/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 1-(2-ethoxypropyl)triazole?
1-(2-ethoxypropyl)triazole has a molecular weight of 155.20 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxypropyl)triazole is sourced from PubChem (CID 57039727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).