3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol

C10H17N3O — CID 103564590

IUPAC3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol
SMILESCCCn1nncc1C1(O)CC(C)C1
InChIInChI=1S/C10H17N3O/c1-3-4-13-9(7-11-12-13)10(14)5-8(2)6-10/h7-8,14H,3-6H2,1-2H3
InChIKeyVRDOQXIKTOXLRO-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.31
Rot. Bonds3

About 3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol

3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol (PubChem CID 103564590) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol
PubChem CID103564590
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol
SMILESCCCn1nncc1C1(O)CC(C)C1
InChIInChI=1S/C10H17N3O/c1-3-4-13-9(7-11-12-13)10(14)5-8(2)6-10/h7-8,14H,3-6H2,1-2H3
InChIKeyVRDOQXIKTOXLRO-UHFFFAOYSA-N
XLogP1.31
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-propyltriazol-4-yl)cyclopentan-1-ol
CID 114684539
1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
CID 114684610
3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol
CID 114685047
2-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol
CID 130555176
8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 114685110
1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
CID 106820939
5-(3-bromo-1-methylcyclopentyl)-1-propyltriazole
CID 114690670
5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole
CID 114688277
(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone
CID 114685710
(2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol
CID 107005461
4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol
CID 114685403
3-(3-ethyltriazol-4-yl)-2-methylthiolan-3-ol
CID 130484192

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol?
The IUPAC name of 3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol (CID 103564590) is 3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol.
What is the SMILES notation for 3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol?
The canonical SMILES for 3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol is CCCn1nncc1C1(O)CC(C)C1.
What is the InChIKey of 3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol?
The InChIKey is VRDOQXIKTOXLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-4-13-9(7-11-12-13)10(14)5-8(2)6-10/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol?
3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol is sourced from PubChem (CID 103564590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).