4-[2-(oxiran-2-ylmethoxy)propyl]-2H-triazole

C8H13N3O2 — CID 151462979

IUPAC4-[2-(oxiran-2-ylmethoxy)propyl]-2H-triazole
SMILESCC(Cc1cn[nH]n1)OCC1CO1
InChIInChI=1S/C8H13N3O2/c1-6(12-4-8-5-13-8)2-7-3-9-11-10-7/h3,6,8H,2,4-5H2,1H3,(H,9,10,11)
InChIKeyPIWAQGRPKBMIKT-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.15
Rot. Bonds5

About 4-[2-(oxiran-2-ylmethoxy)propyl]-2H-triazole

4-[2-(oxiran-2-ylmethoxy)propyl]-2H-triazole (PubChem CID 151462979) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-[2-(oxiran-2-ylmethoxy)propyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-(oxiran-2-ylmethoxy)propyl]-2H-triazole
PubChem CID151462979
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-[2-(oxiran-2-ylmethoxy)propyl]-2H-triazole
SMILESCC(Cc1cn[nH]n1)OCC1CO1
InChIInChI=1S/C8H13N3O2/c1-6(12-4-8-5-13-8)2-7-3-9-11-10-7/h3,6,8H,2,4-5H2,1H3,(H,9,10,11)
InChIKeyPIWAQGRPKBMIKT-UHFFFAOYSA-N
XLogP0.15
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Glycidyl triazole
CID 18953329
Triazolylpropan-2-ol
CID 69279241
1-(2H-triazol-4-yl)butan-2-ol
CID 20518333
4-[[(4R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-triazole
CID 58560740
1-(oxiran-2-yl)-2-(2H-triazol-4-yl)ethanol
CID 88405883
4-(2-methoxy-2-methylpropyl)-2H-triazole
CID 123773586
4-[3-(oxiran-2-ylmethoxy)propyl]-2H-triazole
CID 150328531
4-[2-(3-methylbut-3-enoxy)propyl]-2H-triazole
CID 153072522
tert-butyl 2-[1-(2H-triazol-4-yl)propan-2-yloxy]acetate
CID 154663287
2-[(2R)-1-(2H-triazol-4-yl)propan-2-yl]oxyacetic acid
CID 154663290
tert-butyl 2-[(2R)-1-(2H-triazol-4-yl)propan-2-yl]oxyacetate
CID 154663291
2-[1-(2H-triazol-4-yl)propan-2-yloxy]acetic acid
CID 154663297

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxiran-2-ylmethoxy)propyl]-2H-triazole?
The IUPAC name of 4-[2-(oxiran-2-ylmethoxy)propyl]-2H-triazole (CID 151462979) is 4-[2-(oxiran-2-ylmethoxy)propyl]-2H-triazole.
What is the SMILES notation for 4-[2-(oxiran-2-ylmethoxy)propyl]-2H-triazole?
The canonical SMILES for 4-[2-(oxiran-2-ylmethoxy)propyl]-2H-triazole is CC(Cc1cn[nH]n1)OCC1CO1.
What is the InChIKey of 4-[2-(oxiran-2-ylmethoxy)propyl]-2H-triazole?
The InChIKey is PIWAQGRPKBMIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(12-4-8-5-13-8)2-7-3-9-11-10-7/h3,6,8H,2,4-5H2,1H3,(H,9,10,11).
What are the key properties of 4-[2-(oxiran-2-ylmethoxy)propyl]-2H-triazole?
4-[2-(oxiran-2-ylmethoxy)propyl]-2H-triazole has a molecular weight of 183.21 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxiran-2-ylmethoxy)propyl]-2H-triazole is sourced from PubChem (CID 151462979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).