4-cyclopentyl-3-(fluoromethyl)-1H-1,2,4-triazol-5-one

C8H12FN3O — CID 126953626

IUPAC4-cyclopentyl-3-(fluoromethyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CF)n1C1CCCC1
InChIInChI=1S/C8H12FN3O/c9-5-7-10-11-8(13)12(7)6-3-1-2-4-6/h6H,1-5H2,(H,11,13)
InChIKeyCWIQWYPXDISVDX-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.16
Rot. Bonds2

About 4-cyclopentyl-3-(fluoromethyl)-1H-1,2,4-triazol-5-one

4-cyclopentyl-3-(fluoromethyl)-1H-1,2,4-triazol-5-one (PubChem CID 126953626) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 4-cyclopentyl-3-(fluoromethyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopentyl-3-(fluoromethyl)-1H-1,2,4-triazol-5-one
PubChem CID126953626
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name4-cyclopentyl-3-(fluoromethyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CF)n1C1CCCC1
InChIInChI=1S/C8H12FN3O/c9-5-7-10-11-8(13)12(7)6-3-1-2-4-6/h6H,1-5H2,(H,11,13)
InChIKeyCWIQWYPXDISVDX-UHFFFAOYSA-N
XLogP1.16
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-(fluoromethyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopentyl-3-(fluoromethyl)-1H-1,2,4-triazol-5-one (CID 126953626) is 4-cyclopentyl-3-(fluoromethyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopentyl-3-(fluoromethyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopentyl-3-(fluoromethyl)-1H-1,2,4-triazol-5-one is O=c1[nH]nc(CF)n1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-3-(fluoromethyl)-1H-1,2,4-triazol-5-one?
The InChIKey is CWIQWYPXDISVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c9-5-7-10-11-8(13)12(7)6-3-1-2-4-6/h6H,1-5H2,(H,11,13).
What are the key properties of 4-cyclopentyl-3-(fluoromethyl)-1H-1,2,4-triazol-5-one?
4-cyclopentyl-3-(fluoromethyl)-1H-1,2,4-triazol-5-one has a molecular weight of 185.20 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-(fluoromethyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 126953626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).