3-methoxy-4-methyl-5-phenyl-1,2,4-triazole

C10H11N3O — CID 3039312

IUPAC3-methoxy-4-methyl-5-phenyl-1,2,4-triazole
SMILESCOc1nnc(-c2ccccc2)n1C
InChIInChI=1S/C10H11N3O/c1-13-9(11-12-10(13)14-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyVFHOMXHQQGIGEN-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.49
Rot. Bonds2

About 3-methoxy-4-methyl-5-phenyl-1,2,4-triazole

3-methoxy-4-methyl-5-phenyl-1,2,4-triazole (PubChem CID 3039312) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-methoxy-4-methyl-5-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-methoxy-4-methyl-5-phenyl-1,2,4-triazole
PubChem CID3039312
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3-methoxy-4-methyl-5-phenyl-1,2,4-triazole
SMILESCOc1nnc(-c2ccccc2)n1C
InChIInChI=1S/C10H11N3O/c1-13-9(11-12-10(13)14-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyVFHOMXHQQGIGEN-UHFFFAOYSA-N
XLogP1.49
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-5-phenyl-1,2,4-triazole?
The IUPAC name of 3-methoxy-4-methyl-5-phenyl-1,2,4-triazole (CID 3039312) is 3-methoxy-4-methyl-5-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-methoxy-4-methyl-5-phenyl-1,2,4-triazole?
The canonical SMILES for 3-methoxy-4-methyl-5-phenyl-1,2,4-triazole is COc1nnc(-c2ccccc2)n1C.
What is the InChIKey of 3-methoxy-4-methyl-5-phenyl-1,2,4-triazole?
The InChIKey is VFHOMXHQQGIGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-13-9(11-12-10(13)14-2)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 3-methoxy-4-methyl-5-phenyl-1,2,4-triazole?
3-methoxy-4-methyl-5-phenyl-1,2,4-triazole has a molecular weight of 189.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-5-phenyl-1,2,4-triazole is sourced from PubChem (CID 3039312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).