3-tert-butyl-4-ethenyl-5-methyl-1,2,4-triazole

C9H15N3 — CID 143183445

IUPAC3-tert-butyl-4-ethenyl-5-methyl-1,2,4-triazole
SMILESC=Cn1c(C)nnc1C(C)(C)C
InChIInChI=1S/C9H15N3/c1-6-12-7(2)10-11-8(12)9(3,4)5/h6H,1H2,2-5H3
InChIKeyUMYIJUVCYRJSGI-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.98
Rot. Bonds1

About 3-tert-butyl-4-ethenyl-5-methyl-1,2,4-triazole

3-tert-butyl-4-ethenyl-5-methyl-1,2,4-triazole (PubChem CID 143183445) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-tert-butyl-4-ethenyl-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-tert-butyl-4-ethenyl-5-methyl-1,2,4-triazole
PubChem CID143183445
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-tert-butyl-4-ethenyl-5-methyl-1,2,4-triazole
SMILESC=Cn1c(C)nnc1C(C)(C)C
InChIInChI=1S/C9H15N3/c1-6-12-7(2)10-11-8(12)9(3,4)5/h6H,1H2,2-5H3
InChIKeyUMYIJUVCYRJSGI-UHFFFAOYSA-N
XLogP1.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethenyl-3,5-dimethyl-1H-1,2,4-triazole
CID 15696005
3,4-Dimethyl-5-propan-2-yl-1,2,4-triazole
CID 20597165
3-Tert-butyl-5-(fluoromethyl)-4-methyl-1,2,4-triazole
CID 129180655
3-Ethyl-4,5-dimethyl-1,2,4-triazole
CID 18726711
4-Butyl-3,5-dimethyl-1,2,4-triazole
CID 20305067
3-methyl-7H-pyrrolo[2,1-c][1,2,4]triazole
CID 20722811
3-Tert-butyl-4,5-dimethyl-1,2,4-triazole
CID 22950938
3-Tert-butyl-5-ethyl-4-methyl-1,2,4-triazole
CID 57619175
3,5-Ditert-butyl-4-methyl-1,2,4-triazole
CID 57886702
3,5-Diethyl-4-methyl-1,2,4-triazole
CID 59273822
3,5-Dimethyl-4-propyl-1,2,4-triazole
CID 59288472
3-Tert-butyl-4-methyl-5-propan-2-yl-1,2,4-triazole
CID 59421499

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-ethenyl-5-methyl-1,2,4-triazole?
The IUPAC name of 3-tert-butyl-4-ethenyl-5-methyl-1,2,4-triazole (CID 143183445) is 3-tert-butyl-4-ethenyl-5-methyl-1,2,4-triazole.
What is the SMILES notation for 3-tert-butyl-4-ethenyl-5-methyl-1,2,4-triazole?
The canonical SMILES for 3-tert-butyl-4-ethenyl-5-methyl-1,2,4-triazole is C=Cn1c(C)nnc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-ethenyl-5-methyl-1,2,4-triazole?
The InChIKey is UMYIJUVCYRJSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-6-12-7(2)10-11-8(12)9(3,4)5/h6H,1H2,2-5H3.
What are the key properties of 3-tert-butyl-4-ethenyl-5-methyl-1,2,4-triazole?
3-tert-butyl-4-ethenyl-5-methyl-1,2,4-triazole has a molecular weight of 165.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-ethenyl-5-methyl-1,2,4-triazole is sourced from PubChem (CID 143183445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).