4-(dimethoxymethyl)-2H-triazole

C5H9N3O2 — CID 134836838

IUPAC4-(dimethoxymethyl)-2H-triazole
SMILESCOC(OC)c1cn[nH]n1
InChIInChI=1S/C5H9N3O2/c1-9-5(10-2)4-3-6-8-7-4/h3,5H,1-2H3,(H,6,7,8)
InChIKeyHMEFQTYLMRPPNI-UHFFFAOYSA-N
MW143.15 g/mol
LogP0.10
Rot. Bonds3

About 4-(dimethoxymethyl)-2H-triazole

4-(dimethoxymethyl)-2H-triazole (PubChem CID 134836838) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2H-triazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2H-triazole
PubChem CID134836838
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name4-(dimethoxymethyl)-2H-triazole
SMILESCOC(OC)c1cn[nH]n1
InChIInChI=1S/C5H9N3O2/c1-9-5(10-2)4-3-6-8-7-4/h3,5H,1-2H3,(H,6,7,8)
InChIKeyHMEFQTYLMRPPNI-UHFFFAOYSA-N
XLogP0.10
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-(dimethoxymethyl)-2H-triazole?
The IUPAC name of 4-(dimethoxymethyl)-2H-triazole (CID 134836838) is 4-(dimethoxymethyl)-2H-triazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2H-triazole?
The canonical SMILES for 4-(dimethoxymethyl)-2H-triazole is COC(OC)c1cn[nH]n1.
What is the InChIKey of 4-(dimethoxymethyl)-2H-triazole?
The InChIKey is HMEFQTYLMRPPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-9-5(10-2)4-3-6-8-7-4/h3,5H,1-2H3,(H,6,7,8).
What are the key properties of 4-(dimethoxymethyl)-2H-triazole?
4-(dimethoxymethyl)-2H-triazole has a molecular weight of 143.15 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2H-triazole is sourced from PubChem (CID 134836838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).