1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol

C10H17N3O — CID 65212577

IUPAC1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol
SMILESCc1nc(C)n(CC2(O)CCCC2)n1
InChIInChI=1S/C10H17N3O/c1-8-11-9(2)13(12-8)7-10(14)5-3-4-6-10/h14H,3-7H2,1-2H3
InChIKeyYBYMEXRFLCLGMV-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.20
Rot. Bonds2

About 1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol

1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol (PubChem CID 65212577) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol
PubChem CID65212577
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol
SMILESCc1nc(C)n(CC2(O)CCCC2)n1
InChIInChI=1S/C10H17N3O/c1-8-11-9(2)13(12-8)7-10(14)5-3-4-6-10/h14H,3-7H2,1-2H3
InChIKeyYBYMEXRFLCLGMV-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol (CID 65212577) is 1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol is Cc1nc(C)n(CC2(O)CCCC2)n1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol?
The InChIKey is YBYMEXRFLCLGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-11-9(2)13(12-8)7-10(14)5-3-4-6-10/h14H,3-7H2,1-2H3.
What are the key properties of 1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol?
1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65212577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).