5-(3-imidazol-1-ylcyclobutyl)-1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole

C19H23N5 — CID 167987687

IUPAC5-(3-imidazol-1-ylcyclobutyl)-1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole
SMILESCC(C)c1ccc(-c2nc(C3CC(n4ccnc4)C3)n(C)n2)cc1
InChIInChI=1S/C19H23N5/c1-13(2)14-4-6-15(7-5-14)18-21-19(23(3)22-18)16-10-17(11-16)24-9-8-20-12-24/h4-9,12-13,16-17H,10-11H2,1-3H3
InChIKeyBUCRZKYPCQLFAO-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.92
Rot. Bonds4

About 5-(3-imidazol-1-ylcyclobutyl)-1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole

5-(3-imidazol-1-ylcyclobutyl)-1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole (PubChem CID 167987687) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 5-(3-imidazol-1-ylcyclobutyl)-1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-imidazol-1-ylcyclobutyl)-1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole
PubChem CID167987687
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name5-(3-imidazol-1-ylcyclobutyl)-1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole
SMILESCC(C)c1ccc(-c2nc(C3CC(n4ccnc4)C3)n(C)n2)cc1
InChIInChI=1S/C19H23N5/c1-13(2)14-4-6-15(7-5-14)18-21-19(23(3)22-18)16-10-17(11-16)24-9-8-20-12-24/h4-9,12-13,16-17H,10-11H2,1-3H3
InChIKeyBUCRZKYPCQLFAO-UHFFFAOYSA-N
XLogP3.92
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-imidazol-1-ylcyclobutyl)-1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole?
The IUPAC name of 5-(3-imidazol-1-ylcyclobutyl)-1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole (CID 167987687) is 5-(3-imidazol-1-ylcyclobutyl)-1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole.
What is the SMILES notation for 5-(3-imidazol-1-ylcyclobutyl)-1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole?
The canonical SMILES for 5-(3-imidazol-1-ylcyclobutyl)-1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole is CC(C)c1ccc(-c2nc(C3CC(n4ccnc4)C3)n(C)n2)cc1.
What is the InChIKey of 5-(3-imidazol-1-ylcyclobutyl)-1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole?
The InChIKey is BUCRZKYPCQLFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-13(2)14-4-6-15(7-5-14)18-21-19(23(3)22-18)16-10-17(11-16)24-9-8-20-12-24/h4-9,12-13,16-17H,10-11H2,1-3H3.
What are the key properties of 5-(3-imidazol-1-ylcyclobutyl)-1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole?
5-(3-imidazol-1-ylcyclobutyl)-1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole has a molecular weight of 321.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-imidazol-1-ylcyclobutyl)-1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole is sourced from PubChem (CID 167987687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).