3-(3-tert-butylphenyl)-5-cyclopropyl-1H-1,2,4-triazole

C15H19N3 — CID 169291660

IUPAC3-(3-tert-butylphenyl)-5-cyclopropyl-1H-1,2,4-triazole
SMILESCC(C)(C)c1cccc(-c2n[nH]c(C3CC3)n2)c1
InChIInChI=1S/C15H19N3/c1-15(2,3)12-6-4-5-11(9-12)14-16-13(17-18-14)10-7-8-10/h4-6,9-10H,7-8H2,1-3H3,(H,16,17,18)
InChIKeyVMONUXYGHNSWJM-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.65
Rot. Bonds2

About 3-(3-tert-butylphenyl)-5-cyclopropyl-1H-1,2,4-triazole

3-(3-tert-butylphenyl)-5-cyclopropyl-1H-1,2,4-triazole (PubChem CID 169291660) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-(3-tert-butylphenyl)-5-cyclopropyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-tert-butylphenyl)-5-cyclopropyl-1H-1,2,4-triazole
PubChem CID169291660
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-(3-tert-butylphenyl)-5-cyclopropyl-1H-1,2,4-triazole
SMILESCC(C)(C)c1cccc(-c2n[nH]c(C3CC3)n2)c1
InChIInChI=1S/C15H19N3/c1-15(2,3)12-6-4-5-11(9-12)14-16-13(17-18-14)10-7-8-10/h4-6,9-10H,7-8H2,1-3H3,(H,16,17,18)
InChIKeyVMONUXYGHNSWJM-UHFFFAOYSA-N
XLogP3.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Phenyl-4H-1,2,4-triazol-3-amine
CID 95778
3,5-Diphenyl-1H-1,2,4-triazole
CID 16260
5-benzyl-3-(4-methylphenyl)-1H-1,2,4-triazole
CID 2147143
3-Phenyl-5-p-tolyl-S-triazole
CID 134528
5-(4-butylphenyl)-1H-1,2,4-triazol-3-amine
CID 2282389
5-(4-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 747058
3-methyl-5-phenyl-1H-1,2,4-triazole
CID 594381
5-(2-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 684580
5-Chloro-3-phenyl-1H-1,2,4-triazole
CID 11229128
3-nitro-5-(3-methylphenyl)-4H-1,2,4-triazole
CID 135417106
3-(4-Tert-butylphenyl)-5-methylsulfanyl-4H-[1,2,4]triazole
CID 2743052
5-Benzyl-3-phenyl-1h-1,2,4-triazole
CID 12949989

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylphenyl)-5-cyclopropyl-1H-1,2,4-triazole?
The IUPAC name of 3-(3-tert-butylphenyl)-5-cyclopropyl-1H-1,2,4-triazole (CID 169291660) is 3-(3-tert-butylphenyl)-5-cyclopropyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(3-tert-butylphenyl)-5-cyclopropyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(3-tert-butylphenyl)-5-cyclopropyl-1H-1,2,4-triazole is CC(C)(C)c1cccc(-c2n[nH]c(C3CC3)n2)c1.
What is the InChIKey of 3-(3-tert-butylphenyl)-5-cyclopropyl-1H-1,2,4-triazole?
The InChIKey is VMONUXYGHNSWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-15(2,3)12-6-4-5-11(9-12)14-16-13(17-18-14)10-7-8-10/h4-6,9-10H,7-8H2,1-3H3,(H,16,17,18).
What are the key properties of 3-(3-tert-butylphenyl)-5-cyclopropyl-1H-1,2,4-triazole?
3-(3-tert-butylphenyl)-5-cyclopropyl-1H-1,2,4-triazole has a molecular weight of 241.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylphenyl)-5-cyclopropyl-1H-1,2,4-triazole is sourced from PubChem (CID 169291660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).