3-(1H-imidazol-2-ylmethoxymethyl)-1-phenyl-1,2,4-triazole

C13H13N5O — CID 75446579

IUPAC3-(1H-imidazol-2-ylmethoxymethyl)-1-phenyl-1,2,4-triazole
SMILESc1ccc(-n2cnc(COCc3ncc[nH]3)n2)cc1
InChIInChI=1S/C13H13N5O/c1-2-4-11(5-3-1)18-10-16-13(17-18)9-19-8-12-14-6-7-15-12/h1-7,10H,8-9H2,(H,14,15)
InChIKeyBIKMUHJEYKZYQR-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.71
Rot. Bonds5

About 3-(1H-imidazol-2-ylmethoxymethyl)-1-phenyl-1,2,4-triazole

3-(1H-imidazol-2-ylmethoxymethyl)-1-phenyl-1,2,4-triazole (PubChem CID 75446579) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-(1H-imidazol-2-ylmethoxymethyl)-1-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(1H-imidazol-2-ylmethoxymethyl)-1-phenyl-1,2,4-triazole
PubChem CID75446579
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name3-(1H-imidazol-2-ylmethoxymethyl)-1-phenyl-1,2,4-triazole
SMILESc1ccc(-n2cnc(COCc3ncc[nH]3)n2)cc1
InChIInChI=1S/C13H13N5O/c1-2-4-11(5-3-1)18-10-16-13(17-18)9-19-8-12-14-6-7-15-12/h1-7,10H,8-9H2,(H,14,15)
InChIKeyBIKMUHJEYKZYQR-UHFFFAOYSA-N
XLogP1.71
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-ylmethoxymethyl)-1-phenyl-1,2,4-triazole?
The IUPAC name of 3-(1H-imidazol-2-ylmethoxymethyl)-1-phenyl-1,2,4-triazole (CID 75446579) is 3-(1H-imidazol-2-ylmethoxymethyl)-1-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-(1H-imidazol-2-ylmethoxymethyl)-1-phenyl-1,2,4-triazole?
The canonical SMILES for 3-(1H-imidazol-2-ylmethoxymethyl)-1-phenyl-1,2,4-triazole is c1ccc(-n2cnc(COCc3ncc[nH]3)n2)cc1.
What is the InChIKey of 3-(1H-imidazol-2-ylmethoxymethyl)-1-phenyl-1,2,4-triazole?
The InChIKey is BIKMUHJEYKZYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-2-4-11(5-3-1)18-10-16-13(17-18)9-19-8-12-14-6-7-15-12/h1-7,10H,8-9H2,(H,14,15).
What are the key properties of 3-(1H-imidazol-2-ylmethoxymethyl)-1-phenyl-1,2,4-triazole?
3-(1H-imidazol-2-ylmethoxymethyl)-1-phenyl-1,2,4-triazole has a molecular weight of 255.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-ylmethoxymethyl)-1-phenyl-1,2,4-triazole is sourced from PubChem (CID 75446579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).