1-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,2,4-triazole

C12H21N3 — CID 58157881

IUPAC1-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,2,4-triazole
SMILESCC(C)(C)Cc1ncnn1CC1CCC1
InChIInChI=1S/C12H21N3/c1-12(2,3)7-11-13-9-14-15(11)8-10-5-4-6-10/h9-10H,4-8H2,1-3H3
InChIKeyDCZORWMBMQGXNM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.67
Rot. Bonds3

About 1-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,2,4-triazole

1-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,2,4-triazole (PubChem CID 58157881) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,2,4-triazole
PubChem CID58157881
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,2,4-triazole
SMILESCC(C)(C)Cc1ncnn1CC1CCC1
InChIInChI=1S/C12H21N3/c1-12(2,3)7-11-13-9-14-15(11)8-10-5-4-6-10/h9-10H,4-8H2,1-3H3
InChIKeyDCZORWMBMQGXNM-UHFFFAOYSA-N
XLogP2.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,2,4-triazole?
The IUPAC name of 1-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,2,4-triazole (CID 58157881) is 1-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,2,4-triazole.
What is the SMILES notation for 1-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,2,4-triazole?
The canonical SMILES for 1-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,2,4-triazole is CC(C)(C)Cc1ncnn1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,2,4-triazole?
The InChIKey is DCZORWMBMQGXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,3)7-11-13-9-14-15(11)8-10-5-4-6-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,2,4-triazole?
1-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,2,4-triazole has a molecular weight of 207.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,2,4-triazole is sourced from PubChem (CID 58157881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).