2-methyl-1-[(2-methyltriazol-4-yl)methyl]cyclobutan-1-ol

C9H15N3O — CID 130591989

IUPAC2-methyl-1-[(2-methyltriazol-4-yl)methyl]cyclobutan-1-ol
SMILESCC1CCC1(O)Cc1cnn(C)n1
InChIInChI=1S/C9H15N3O/c1-7-3-4-9(7,13)5-8-6-10-12(2)11-8/h6-7,13H,3-5H2,1-2H3
InChIKeyWPHGBHOXPKCWFA-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.52
Rot. Bonds2

About 2-methyl-1-[(2-methyltriazol-4-yl)methyl]cyclobutan-1-ol

2-methyl-1-[(2-methyltriazol-4-yl)methyl]cyclobutan-1-ol (PubChem CID 130591989) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methyl-1-[(2-methyltriazol-4-yl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[(2-methyltriazol-4-yl)methyl]cyclobutan-1-ol
PubChem CID130591989
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-methyl-1-[(2-methyltriazol-4-yl)methyl]cyclobutan-1-ol
SMILESCC1CCC1(O)Cc1cnn(C)n1
InChIInChI=1S/C9H15N3O/c1-7-3-4-9(7,13)5-8-6-10-12(2)11-8/h6-7,13H,3-5H2,1-2H3
InChIKeyWPHGBHOXPKCWFA-UHFFFAOYSA-N
XLogP0.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methyltriazol-4-yl)methyl]cyclobutan-1-ol?
The IUPAC name of 2-methyl-1-[(2-methyltriazol-4-yl)methyl]cyclobutan-1-ol (CID 130591989) is 2-methyl-1-[(2-methyltriazol-4-yl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 2-methyl-1-[(2-methyltriazol-4-yl)methyl]cyclobutan-1-ol?
The canonical SMILES for 2-methyl-1-[(2-methyltriazol-4-yl)methyl]cyclobutan-1-ol is CC1CCC1(O)Cc1cnn(C)n1.
What is the InChIKey of 2-methyl-1-[(2-methyltriazol-4-yl)methyl]cyclobutan-1-ol?
The InChIKey is WPHGBHOXPKCWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-3-4-9(7,13)5-8-6-10-12(2)11-8/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 2-methyl-1-[(2-methyltriazol-4-yl)methyl]cyclobutan-1-ol?
2-methyl-1-[(2-methyltriazol-4-yl)methyl]cyclobutan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methyltriazol-4-yl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 130591989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).