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

C9H15N3O — CID 131166093

IUPAC3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
SMILESCn1ncnc1C1(O)CC(C)(C)C1
InChIInChI=1S/C9H15N3O/c1-8(2)4-9(13,5-8)7-10-6-11-12(7)3/h6,13H,4-5H2,1-3H3
InChIKeyXGENPHUOIWZHQM-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.82
Rot. Bonds1

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

3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol (PubChem CID 131166093) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
PubChem CID131166093
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
SMILESCn1ncnc1C1(O)CC(C)(C)C1
InChIInChI=1S/C9H15N3O/c1-8(2)4-9(13,5-8)7-10-6-11-12(7)3/h6,13H,4-5H2,1-3H3
InChIKeyXGENPHUOIWZHQM-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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
The IUPAC name of 3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol (CID 131166093) is 3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol is Cn1ncnc1C1(O)CC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
The InChIKey is XGENPHUOIWZHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8(2)4-9(13,5-8)7-10-6-11-12(7)3/h6,13H,4-5H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
3,3-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 3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol is sourced from PubChem (CID 131166093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).