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

C9H9N3O — CID 57181715

IUPAC3-methoxy-3-phenyl-1,2,4-triazole
SMILESCOC1(c2ccccc2)N=CN=N1
InChIInChI=1S/C9H9N3O/c1-13-9(10-7-11-12-9)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyWMDHYJWDDYFMIN-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.94
Rot. Bonds2

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

3-methoxy-3-phenyl-1,2,4-triazole (PubChem CID 57181715) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-methoxy-3-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-methoxy-3-phenyl-1,2,4-triazole
PubChem CID57181715
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name3-methoxy-3-phenyl-1,2,4-triazole
SMILESCOC1(c2ccccc2)N=CN=N1
InChIInChI=1S/C9H9N3O/c1-13-9(10-7-11-12-9)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyWMDHYJWDDYFMIN-UHFFFAOYSA-N
XLogP1.94
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-phenyl-1,2,4-triazole?
The IUPAC name of 3-methoxy-3-phenyl-1,2,4-triazole (CID 57181715) is 3-methoxy-3-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-methoxy-3-phenyl-1,2,4-triazole?
The canonical SMILES for 3-methoxy-3-phenyl-1,2,4-triazole is COC1(c2ccccc2)N=CN=N1.
What is the InChIKey of 3-methoxy-3-phenyl-1,2,4-triazole?
The InChIKey is WMDHYJWDDYFMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-13-9(10-7-11-12-9)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 3-methoxy-3-phenyl-1,2,4-triazole?
3-methoxy-3-phenyl-1,2,4-triazole has a molecular weight of 175.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-phenyl-1,2,4-triazole is sourced from PubChem (CID 57181715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).