4-tert-butyl-3-(cyclobutylmethyl)-1,2,4-triazole

C11H19N3 — CID 103167588

IUPAC4-tert-butyl-3-(cyclobutylmethyl)-1,2,4-triazole
SMILESCC(C)(C)n1cnnc1CC1CCC1
InChIInChI=1S/C11H19N3/c1-11(2,3)14-8-12-13-10(14)7-9-5-4-6-9/h8-9H,4-7H2,1-3H3
InChIKeyVARFEEAZUPDANA-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.38
Rot. Bonds2

About 4-tert-butyl-3-(cyclobutylmethyl)-1,2,4-triazole

4-tert-butyl-3-(cyclobutylmethyl)-1,2,4-triazole (PubChem CID 103167588) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-tert-butyl-3-(cyclobutylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-tert-butyl-3-(cyclobutylmethyl)-1,2,4-triazole
PubChem CID103167588
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-tert-butyl-3-(cyclobutylmethyl)-1,2,4-triazole
SMILESCC(C)(C)n1cnnc1CC1CCC1
InChIInChI=1S/C11H19N3/c1-11(2,3)14-8-12-13-10(14)7-9-5-4-6-9/h8-9H,4-7H2,1-3H3
InChIKeyVARFEEAZUPDANA-UHFFFAOYSA-N
XLogP2.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Hexazole
CID 3083863
1-cyclohexyl-4-(4-isopropyl-4H-1,2,4-triazol-3-yl)piperidine
CID 53192541
5-Cyclobutyl-1-methyl-1,2,4-triazole
CID 15496058
4-Tert-butyl-3-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
CID 81934654
4-Tert-butyl-3-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
CID 81934696
4-Tert-butyl-3-(4,4-difluorocyclohexyl)-1,2,4-triazole
CID 81934738
4-Tert-butyl-3-(3,3-difluorocyclohexyl)-1,2,4-triazole
CID 114226808
3-(3,3-Difluorocyclobutyl)-4-ethyl-1,2,4-triazole
CID 130964967
1-[(3,3-Difluorocyclobutyl)methyl]-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 137992108
3-(4-Fluoroheptan-4-yl)-4-methyl-1,2,4-triazole
CID 177209393
3-(Cyclobutylmethyl)-4-(difluoromethyl)-1,2,4-triazole
CID 178118795
4-(Difluoromethyl)-3-(2-methylbutyl)-1,2,4-triazole
CID 178118853

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-(cyclobutylmethyl)-1,2,4-triazole?
The IUPAC name of 4-tert-butyl-3-(cyclobutylmethyl)-1,2,4-triazole (CID 103167588) is 4-tert-butyl-3-(cyclobutylmethyl)-1,2,4-triazole.
What is the SMILES notation for 4-tert-butyl-3-(cyclobutylmethyl)-1,2,4-triazole?
The canonical SMILES for 4-tert-butyl-3-(cyclobutylmethyl)-1,2,4-triazole is CC(C)(C)n1cnnc1CC1CCC1.
What is the InChIKey of 4-tert-butyl-3-(cyclobutylmethyl)-1,2,4-triazole?
The InChIKey is VARFEEAZUPDANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2,3)14-8-12-13-10(14)7-9-5-4-6-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-3-(cyclobutylmethyl)-1,2,4-triazole?
4-tert-butyl-3-(cyclobutylmethyl)-1,2,4-triazole has a molecular weight of 193.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-(cyclobutylmethyl)-1,2,4-triazole is sourced from PubChem (CID 103167588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).