4-(2-methoxyethyl)-2H-triazole

C5H9N3O — CID 90976903

IUPAC4-(2-methoxyethyl)-2H-triazole
SMILESCOCCc1cn[nH]n1
InChIInChI=1S/C5H9N3O/c1-9-3-2-5-4-6-8-7-5/h4H,2-3H2,1H3,(H,6,7,8)
InChIKeyWTQSMNGSQLHUIW-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.01
Rot. Bonds3

About 4-(2-methoxyethyl)-2H-triazole

4-(2-methoxyethyl)-2H-triazole (PubChem CID 90976903) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-2H-triazole.

Molecular Properties

Compound Name4-(2-methoxyethyl)-2H-triazole
PubChem CID90976903
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name4-(2-methoxyethyl)-2H-triazole
SMILESCOCCc1cn[nH]n1
InChIInChI=1S/C5H9N3O/c1-9-3-2-5-4-6-8-7-5/h4H,2-3H2,1H3,(H,6,7,8)
InChIKeyWTQSMNGSQLHUIW-UHFFFAOYSA-N
XLogP-0.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 19392414
ethyl 2-(1H-1,2,3-triazol-4-yl)acetate
CID 57503805
2-Methoxy-1-(1h-1,2,3-triazol-5-yl)ethan-1-amine
CID 55283735
Triazolylpropan-2-ol
CID 69279241
1-(2H-triazol-4-yl)butan-2-ol
CID 20518333
4-(2H-triazol-4-yl)-4,5-dihydro-1,3-oxazole
CID 54321788
4-[2-[2-(2H-triazol-4-yl)ethoxy]ethyl]-2H-triazole
CID 57017940
4-(oxiren-2-ylmethyl)-2H-triazole
CID 57236297
4-(2-prop-2-enoxyethyl)-2H-triazole
CID 57804724
2-(2-Methyl-2H-[1,2,3]triazol-4-YL)-ethanol
CID 59496946
tert-butyl-dimethyl-[2-(2H-triazol-4-yl)ethoxy]silane
CID 69195671
3-(2H-triazol-4-yl)prop-1-en-2-ol
CID 69230774

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-2H-triazole?
The IUPAC name of 4-(2-methoxyethyl)-2H-triazole (CID 90976903) is 4-(2-methoxyethyl)-2H-triazole.
What is the SMILES notation for 4-(2-methoxyethyl)-2H-triazole?
The canonical SMILES for 4-(2-methoxyethyl)-2H-triazole is COCCc1cn[nH]n1.
What is the InChIKey of 4-(2-methoxyethyl)-2H-triazole?
The InChIKey is WTQSMNGSQLHUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-9-3-2-5-4-6-8-7-5/h4H,2-3H2,1H3,(H,6,7,8).
What are the key properties of 4-(2-methoxyethyl)-2H-triazole?
4-(2-methoxyethyl)-2H-triazole has a molecular weight of 127.15 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-2H-triazole is sourced from PubChem (CID 90976903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).