3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1-(2-methylprop-2-enyl)-1,2,4-triazole

C17H19N5 — CID 162633360

IUPAC3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1-(2-methylprop-2-enyl)-1,2,4-triazole
SMILESC=C(C)Cn1nc(C)nc1-c1cnc(-c2ccccc2)n1C
InChIInChI=1S/C17H19N5/c1-12(2)11-22-17(19-13(3)20-22)15-10-18-16(21(15)4)14-8-6-5-7-9-14/h5-10H,1,11H2,2-4H3
InChIKeyDGMMBDDDIJOAAI-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.23
Rot. Bonds4

About 3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1-(2-methylprop-2-enyl)-1,2,4-triazole

3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1-(2-methylprop-2-enyl)-1,2,4-triazole (PubChem CID 162633360) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1-(2-methylprop-2-enyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1-(2-methylprop-2-enyl)-1,2,4-triazole
PubChem CID162633360
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1-(2-methylprop-2-enyl)-1,2,4-triazole
SMILESC=C(C)Cn1nc(C)nc1-c1cnc(-c2ccccc2)n1C
InChIInChI=1S/C17H19N5/c1-12(2)11-22-17(19-13(3)20-22)15-10-18-16(21(15)4)14-8-6-5-7-9-14/h5-10H,1,11H2,2-4H3
InChIKeyDGMMBDDDIJOAAI-UHFFFAOYSA-N
XLogP3.23
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1-(2-methylprop-2-enyl)-1,2,4-triazole?
The IUPAC name of 3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1-(2-methylprop-2-enyl)-1,2,4-triazole (CID 162633360) is 3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1-(2-methylprop-2-enyl)-1,2,4-triazole.
What is the SMILES notation for 3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1-(2-methylprop-2-enyl)-1,2,4-triazole?
The canonical SMILES for 3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1-(2-methylprop-2-enyl)-1,2,4-triazole is C=C(C)Cn1nc(C)nc1-c1cnc(-c2ccccc2)n1C.
What is the InChIKey of 3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1-(2-methylprop-2-enyl)-1,2,4-triazole?
The InChIKey is DGMMBDDDIJOAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-12(2)11-22-17(19-13(3)20-22)15-10-18-16(21(15)4)14-8-6-5-7-9-14/h5-10H,1,11H2,2-4H3.
What are the key properties of 3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1-(2-methylprop-2-enyl)-1,2,4-triazole?
3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1-(2-methylprop-2-enyl)-1,2,4-triazole has a molecular weight of 293.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1-(2-methylprop-2-enyl)-1,2,4-triazole is sourced from PubChem (CID 162633360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).