5-(cyclopentylmethyl)-2-ethyl-4H-1,2,4-triazol-3-one

C10H17N3O — CID 171482331

IUPAC5-(cyclopentylmethyl)-2-ethyl-4H-1,2,4-triazol-3-one
SMILESCCn1nc(CC2CCCC2)[nH]c1=O
InChIInChI=1S/C10H17N3O/c1-2-13-10(14)11-9(12-13)7-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,11,12,14)
InChIKeyCEELLBLCFYBOAH-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.32
Rot. Bonds3

About 5-(cyclopentylmethyl)-2-ethyl-4H-1,2,4-triazol-3-one

5-(cyclopentylmethyl)-2-ethyl-4H-1,2,4-triazol-3-one (PubChem CID 171482331) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-2-ethyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-2-ethyl-4H-1,2,4-triazol-3-one
PubChem CID171482331
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(cyclopentylmethyl)-2-ethyl-4H-1,2,4-triazol-3-one
SMILESCCn1nc(CC2CCCC2)[nH]c1=O
InChIInChI=1S/C10H17N3O/c1-2-13-10(14)11-9(12-13)7-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,11,12,14)
InChIKeyCEELLBLCFYBOAH-UHFFFAOYSA-N
XLogP1.32
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-2-ethyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-(cyclopentylmethyl)-2-ethyl-4H-1,2,4-triazol-3-one (CID 171482331) is 5-(cyclopentylmethyl)-2-ethyl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(cyclopentylmethyl)-2-ethyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-(cyclopentylmethyl)-2-ethyl-4H-1,2,4-triazol-3-one is CCn1nc(CC2CCCC2)[nH]c1=O.
What is the InChIKey of 5-(cyclopentylmethyl)-2-ethyl-4H-1,2,4-triazol-3-one?
The InChIKey is CEELLBLCFYBOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-13-10(14)11-9(12-13)7-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,11,12,14).
What are the key properties of 5-(cyclopentylmethyl)-2-ethyl-4H-1,2,4-triazol-3-one?
5-(cyclopentylmethyl)-2-ethyl-4H-1,2,4-triazol-3-one has a molecular weight of 195.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-2-ethyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 171482331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).