(2R)-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-one

C8H11N3O — CID 51669378

IUPAC(2R)-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-one
SMILESO=C1CCC[C@@H]1Cn1cncn1
InChIInChI=1S/C8H11N3O/c12-8-3-1-2-7(8)4-11-6-9-5-10-11/h5-7H,1-4H2/t7-/m1/s1
InChIKeyGPRWMSVIDJJDLK-SSDOTTSWSA-N
MW165.20 g/mol
LogP0.65
Rot. Bonds2

About (2R)-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-one

(2R)-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-one (PubChem CID 51669378) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is (2R)-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-one
PubChem CID51669378
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name(2R)-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-one
SMILESO=C1CCC[C@@H]1Cn1cncn1
InChIInChI=1S/C8H11N3O/c12-8-3-1-2-7(8)4-11-6-9-5-10-11/h5-7H,1-4H2/t7-/m1/s1
InChIKeyGPRWMSVIDJJDLK-SSDOTTSWSA-N
XLogP0.65
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-one?
The IUPAC name of (2R)-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-one (CID 51669378) is (2R)-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-one.
What is the SMILES notation for (2R)-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-one?
The canonical SMILES for (2R)-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-one is O=C1CCC[C@@H]1Cn1cncn1.
What is the InChIKey of (2R)-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-one?
The InChIKey is GPRWMSVIDJJDLK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11N3O/c12-8-3-1-2-7(8)4-11-6-9-5-10-11/h5-7H,1-4H2/t7-/m1/s1.
What are the key properties of (2R)-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-one?
(2R)-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-one has a molecular weight of 165.20 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-one is sourced from PubChem (CID 51669378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).