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

C10H17N3O — CID 130530497

IUPAC3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-ol
SMILESCC1CC(O)(c2ncnn2C(C)C)C1
InChIInChI=1S/C10H17N3O/c1-7(2)13-9(11-6-12-13)10(14)4-8(3)5-10/h6-8,14H,4-5H2,1-3H3
InChIKeyHDMYZUZWTQCUPC-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.48
Rot. Bonds2

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

3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-ol (PubChem CID 130530497) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-ol
PubChem CID130530497
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-ol
SMILESCC1CC(O)(c2ncnn2C(C)C)C1
InChIInChI=1S/C10H17N3O/c1-7(2)13-9(11-6-12-13)10(14)4-8(3)5-10/h6-8,14H,4-5H2,1-3H3
InChIKeyHDMYZUZWTQCUPC-UHFFFAOYSA-N
XLogP1.48
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-methylbutyl]-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol
CID 164635226
3-Amino-1,1,1-trifluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
CID 112744629
1-[1-(2-Ethyl-4,4,4-trifluorobutyl)-1,2,4-triazol-3-yl]cyclobutan-1-ol
CID 167992541
2-(2-Propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 58337074
2-(1-Propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 58973033
2-Methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 65609928
(2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 70048125
3-[1-(2-Methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol
CID 71167280
2-[1-(2-Methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 89333367
3-(1-Ethyl-1,2,4-triazol-3-yl)pentan-3-ol
CID 89334364
1-(4-Methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
CID 131206061
1-[1,5-Di(propan-2-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol
CID 176773912

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
The IUPAC name of 3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-ol (CID 130530497) is 3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-ol.
What is the SMILES notation for 3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
The canonical SMILES for 3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-ol is CC1CC(O)(c2ncnn2C(C)C)C1.
What is the InChIKey of 3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
The InChIKey is HDMYZUZWTQCUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)13-9(11-6-12-13)10(14)4-8(3)5-10/h6-8,14H,4-5H2,1-3H3.
What are the key properties of 3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-ol is sourced from PubChem (CID 130530497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).