2,2-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol

C9H15N3O — CID 130554935

IUPAC2,2-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
SMILESCn1ncnc1C1(O)CCC1(C)C
InChIInChI=1S/C9H15N3O/c1-8(2)4-5-9(8,13)7-10-6-11-12(7)3/h6,13H,4-5H2,1-3H3
InChIKeyHVIBFVHPIIHYFG-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.82
Rot. Bonds1

About 2,2-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol

2,2-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol (PubChem CID 130554935) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
PubChem CID130554935
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2,2-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
SMILESCn1ncnc1C1(O)CCC1(C)C
InChIInChI=1S/C9H15N3O/c1-8(2)4-5-9(8,13)7-10-6-11-12(7)3/h6,13H,4-5H2,1-3H3
InChIKeyHVIBFVHPIIHYFG-UHFFFAOYSA-N
XLogP0.82
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol 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 2,2-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol (CID 130554935) is 2,2-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol is Cn1ncnc1C1(O)CCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
The InChIKey is HVIBFVHPIIHYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8(2)4-5-9(8,13)7-10-6-11-12(7)3/h6,13H,4-5H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
2,2-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol is sourced from PubChem (CID 130554935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).