4-(methoxymethyl)-2,3-dihydro-1H-triazole

C4H9N3O — CID 141424586

IUPAC4-(methoxymethyl)-2,3-dihydro-1H-triazole
SMILESCOCC1=CNNN1
InChIInChI=1S/C4H9N3O/c1-8-3-4-2-5-7-6-4/h2,5-7H,3H2,1H3
InChIKeyRAEKQGDRTJFMIU-UHFFFAOYSA-N
MW115.14 g/mol
LogP-0.91
Rot. Bonds2

About 4-(methoxymethyl)-2,3-dihydro-1H-triazole

4-(methoxymethyl)-2,3-dihydro-1H-triazole (PubChem CID 141424586) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is 4-(methoxymethyl)-2,3-dihydro-1H-triazole.

Molecular Properties

Compound Name4-(methoxymethyl)-2,3-dihydro-1H-triazole
PubChem CID141424586
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name4-(methoxymethyl)-2,3-dihydro-1H-triazole
SMILESCOCC1=CNNN1
InChIInChI=1S/C4H9N3O/c1-8-3-4-2-5-7-6-4/h2,5-7H,3H2,1H3
InChIKeyRAEKQGDRTJFMIU-UHFFFAOYSA-N
XLogP-0.91
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2,3-dihydro-1H-triazole?
The IUPAC name of 4-(methoxymethyl)-2,3-dihydro-1H-triazole (CID 141424586) is 4-(methoxymethyl)-2,3-dihydro-1H-triazole.
What is the SMILES notation for 4-(methoxymethyl)-2,3-dihydro-1H-triazole?
The canonical SMILES for 4-(methoxymethyl)-2,3-dihydro-1H-triazole is COCC1=CNNN1.
What is the InChIKey of 4-(methoxymethyl)-2,3-dihydro-1H-triazole?
The InChIKey is RAEKQGDRTJFMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c1-8-3-4-2-5-7-6-4/h2,5-7H,3H2,1H3.
What are the key properties of 4-(methoxymethyl)-2,3-dihydro-1H-triazole?
4-(methoxymethyl)-2,3-dihydro-1H-triazole has a molecular weight of 115.14 g/mol, XLogP of -0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2,3-dihydro-1H-triazole is sourced from PubChem (CID 141424586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).