1-(methoxymethyl)triazole

C4H7N3O — CID 10486821

IUPAC1-(methoxymethyl)triazole
SMILESCOCn1ccnn1
InChIInChI=1S/C4H7N3O/c1-8-4-7-3-2-5-6-7/h2-3H,4H2,1H3
InChIKeyIQSRRFMCWFOLHA-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.12
Rot. Bonds2

About 1-(methoxymethyl)triazole

1-(methoxymethyl)triazole (PubChem CID 10486821) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 1-(methoxymethyl)triazole.

Molecular Properties

Compound Name1-(methoxymethyl)triazole
PubChem CID10486821
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name1-(methoxymethyl)triazole
SMILESCOCn1ccnn1
InChIInChI=1S/C4H7N3O/c1-8-4-7-3-2-5-6-7/h2-3H,4H2,1H3
InChIKeyIQSRRFMCWFOLHA-UHFFFAOYSA-N
XLogP-0.12
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)triazole?
The IUPAC name of 1-(methoxymethyl)triazole (CID 10486821) is 1-(methoxymethyl)triazole.
What is the SMILES notation for 1-(methoxymethyl)triazole?
The canonical SMILES for 1-(methoxymethyl)triazole is COCn1ccnn1.
What is the InChIKey of 1-(methoxymethyl)triazole?
The InChIKey is IQSRRFMCWFOLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-8-4-7-3-2-5-6-7/h2-3H,4H2,1H3.
What are the key properties of 1-(methoxymethyl)triazole?
1-(methoxymethyl)triazole has a molecular weight of 113.12 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)triazole is sourced from PubChem (CID 10486821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).