5-(methoxymethyl)-1-methyltriazole

C5H9N3O — CID 58602891

IUPAC5-(methoxymethyl)-1-methyltriazole
SMILESCOCc1cnnn1C
InChIInChI=1S/C5H9N3O/c1-8-5(4-9-2)3-6-7-8/h3H,4H2,1-2H3
InChIKeySQHZSBNIVJIWQT-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.04
Rot. Bonds2

About 5-(methoxymethyl)-1-methyltriazole

5-(methoxymethyl)-1-methyltriazole (PubChem CID 58602891) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-methyltriazole.

Molecular Properties

Compound Name5-(methoxymethyl)-1-methyltriazole
PubChem CID58602891
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name5-(methoxymethyl)-1-methyltriazole
SMILESCOCc1cnnn1C
InChIInChI=1S/C5H9N3O/c1-8-5(4-9-2)3-6-7-8/h3H,4H2,1-2H3
InChIKeySQHZSBNIVJIWQT-UHFFFAOYSA-N
XLogP-0.04
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-methyltriazole?
The IUPAC name of 5-(methoxymethyl)-1-methyltriazole (CID 58602891) is 5-(methoxymethyl)-1-methyltriazole.
What is the SMILES notation for 5-(methoxymethyl)-1-methyltriazole?
The canonical SMILES for 5-(methoxymethyl)-1-methyltriazole is COCc1cnnn1C.
What is the InChIKey of 5-(methoxymethyl)-1-methyltriazole?
The InChIKey is SQHZSBNIVJIWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-8-5(4-9-2)3-6-7-8/h3H,4H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-1-methyltriazole?
5-(methoxymethyl)-1-methyltriazole has a molecular weight of 127.15 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-methyltriazole is sourced from PubChem (CID 58602891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).