3,3-dimethyl-1-(2-methyltriazol-4-yl)cyclopentan-1-ol

C10H17N3O — CID 130602247

IUPAC3,3-dimethyl-1-(2-methyltriazol-4-yl)cyclopentan-1-ol
SMILESCn1ncc(C2(O)CCC(C)(C)C2)n1
InChIInChI=1S/C10H17N3O/c1-9(2)4-5-10(14,7-9)8-6-11-13(3)12-8/h6,14H,4-5,7H2,1-3H3
InChIKeyCFBYVDPGEQRGAT-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.21
Rot. Bonds1

About 3,3-dimethyl-1-(2-methyltriazol-4-yl)cyclopentan-1-ol

3,3-dimethyl-1-(2-methyltriazol-4-yl)cyclopentan-1-ol (PubChem CID 130602247) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methyltriazol-4-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methyltriazol-4-yl)cyclopentan-1-ol
PubChem CID130602247
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3,3-dimethyl-1-(2-methyltriazol-4-yl)cyclopentan-1-ol
SMILESCn1ncc(C2(O)CCC(C)(C)C2)n1
InChIInChI=1S/C10H17N3O/c1-9(2)4-5-10(14,7-9)8-6-11-13(3)12-8/h6,14H,4-5,7H2,1-3H3
InChIKeyCFBYVDPGEQRGAT-UHFFFAOYSA-N
XLogP1.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyltriazol-4-yl)oxan-3-ol
CID 130602199
3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclopentan-1-ol
CID 114685262
6-(2-methyltriazol-4-yl)bicyclo[3.1.0]hexan-6-ol
CID 130521201
1-(2-methyltriazol-4-yl)-2-propylcyclopropan-1-ol
CID 130521199
4-(3,3-difluoro-1-propan-2-ylcyclobutyl)-2-methyltriazole
CID 139525506
N,3-dimethyl-3-(2-methyltriazol-4-yl)cyclopentan-1-amine
CID 130603161
1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 114635925
4-fluoro-4-(2-methyltriazol-4-yl)cyclohexan-1-amine
CID 130603305
3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
CID 114685035
3,3-dimethyl-1-(3-phenyltriazol-4-yl)cyclopentan-1-ol
CID 114685264
1-(2-phenyltriazol-4-yl)cyclopropan-1-ol
CID 62668959
3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol
CID 80699117

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methyltriazol-4-yl)cyclopentan-1-ol?
The IUPAC name of 3,3-dimethyl-1-(2-methyltriazol-4-yl)cyclopentan-1-ol (CID 130602247) is 3,3-dimethyl-1-(2-methyltriazol-4-yl)cyclopentan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-(2-methyltriazol-4-yl)cyclopentan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-(2-methyltriazol-4-yl)cyclopentan-1-ol is Cn1ncc(C2(O)CCC(C)(C)C2)n1.
What is the InChIKey of 3,3-dimethyl-1-(2-methyltriazol-4-yl)cyclopentan-1-ol?
The InChIKey is CFBYVDPGEQRGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-9(2)4-5-10(14,7-9)8-6-11-13(3)12-8/h6,14H,4-5,7H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(2-methyltriazol-4-yl)cyclopentan-1-ol?
3,3-dimethyl-1-(2-methyltriazol-4-yl)cyclopentan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 1.21, 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-methyltriazol-4-yl)cyclopentan-1-ol is sourced from PubChem (CID 130602247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).