1-methoxy-4,5-dimethyltriazole

C5H9N3O — CID 18737148

IUPAC1-methoxy-4,5-dimethyltriazole
SMILESCOn1nnc(C)c1C
InChIInChI=1S/C5H9N3O/c1-4-5(2)8(9-3)7-6-4/h1-3H3
InChIKeyMGUUEHKXWCKTSV-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.05
Rot. Bonds1

About 1-methoxy-4,5-dimethyltriazole

1-methoxy-4,5-dimethyltriazole (PubChem CID 18737148) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-methoxy-4,5-dimethyltriazole.

Molecular Properties

Compound Name1-methoxy-4,5-dimethyltriazole
PubChem CID18737148
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1-methoxy-4,5-dimethyltriazole
SMILESCOn1nnc(C)c1C
InChIInChI=1S/C5H9N3O/c1-4-5(2)8(9-3)7-6-4/h1-3H3
InChIKeyMGUUEHKXWCKTSV-UHFFFAOYSA-N
XLogP-0.05
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4,5-dimethyltriazole?
The IUPAC name of 1-methoxy-4,5-dimethyltriazole (CID 18737148) is 1-methoxy-4,5-dimethyltriazole.
What is the SMILES notation for 1-methoxy-4,5-dimethyltriazole?
The canonical SMILES for 1-methoxy-4,5-dimethyltriazole is COn1nnc(C)c1C.
What is the InChIKey of 1-methoxy-4,5-dimethyltriazole?
The InChIKey is MGUUEHKXWCKTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4-5(2)8(9-3)7-6-4/h1-3H3.
What are the key properties of 1-methoxy-4,5-dimethyltriazole?
1-methoxy-4,5-dimethyltriazole has a molecular weight of 127.15 g/mol, XLogP of -0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4,5-dimethyltriazole is sourced from PubChem (CID 18737148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).