2-(cyclopentylmethyl)-5-(fluoromethyl)-4-methyl-1,2,4-triazol-3-one

C10H16FN3O — CID 126953638

IUPAC2-(cyclopentylmethyl)-5-(fluoromethyl)-4-methyl-1,2,4-triazol-3-one
SMILESCn1c(CF)nn(CC2CCCC2)c1=O
InChIInChI=1S/C10H16FN3O/c1-13-9(6-11)12-14(10(13)15)7-8-4-2-3-5-8/h8H,2-7H2,1H3
InChIKeyMOLQVIFVZCCJPV-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.24
Rot. Bonds3

About 2-(cyclopentylmethyl)-5-(fluoromethyl)-4-methyl-1,2,4-triazol-3-one

2-(cyclopentylmethyl)-5-(fluoromethyl)-4-methyl-1,2,4-triazol-3-one (PubChem CID 126953638) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-5-(fluoromethyl)-4-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-5-(fluoromethyl)-4-methyl-1,2,4-triazol-3-one
PubChem CID126953638
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name2-(cyclopentylmethyl)-5-(fluoromethyl)-4-methyl-1,2,4-triazol-3-one
SMILESCn1c(CF)nn(CC2CCCC2)c1=O
InChIInChI=1S/C10H16FN3O/c1-13-9(6-11)12-14(10(13)15)7-8-4-2-3-5-8/h8H,2-7H2,1H3
InChIKeyMOLQVIFVZCCJPV-UHFFFAOYSA-N
XLogP1.24
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-1-methyl-4-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953787
3-cyclopentyl-1-(2,2-difluoroethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953791
2-[[(1R)-2,2-difluorocyclopentyl]methyl]-4-methyl-1,2,4-triazol-3-one
CID 164633203
4-tert-butyl-1-(cyclopentylmethyl)-3-(fluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953623
1-(cyclobutylmethyl)-3-(fluoromethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953637
2-[(3,3-Difluorocyclopentyl)methyl]-4-methyl-1,2,4-triazol-3-one
CID 132286799
2-[(2,2-Difluorocyclopentyl)methyl]-4-methyl-1,2,4-triazol-3-one
CID 132299274
2-(Cyclopentylmethyl)-4-methyl-1,2,4-triazol-3-one
CID 115774444
1-(cyclopentylmethyl)-3,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953686
3-cyclopentyl-1-methyl-4-(2-methylpropyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953793
2-(2-Cyclobutylethyl)-4-ethyl-5-methyl-1,2,4-triazol-3-one
CID 166265705

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-5-(fluoromethyl)-4-methyl-1,2,4-triazol-3-one?
The IUPAC name of 2-(cyclopentylmethyl)-5-(fluoromethyl)-4-methyl-1,2,4-triazol-3-one (CID 126953638) is 2-(cyclopentylmethyl)-5-(fluoromethyl)-4-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-(cyclopentylmethyl)-5-(fluoromethyl)-4-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-(cyclopentylmethyl)-5-(fluoromethyl)-4-methyl-1,2,4-triazol-3-one is Cn1c(CF)nn(CC2CCCC2)c1=O.
What is the InChIKey of 2-(cyclopentylmethyl)-5-(fluoromethyl)-4-methyl-1,2,4-triazol-3-one?
The InChIKey is MOLQVIFVZCCJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c1-13-9(6-11)12-14(10(13)15)7-8-4-2-3-5-8/h8H,2-7H2,1H3.
What are the key properties of 2-(cyclopentylmethyl)-5-(fluoromethyl)-4-methyl-1,2,4-triazol-3-one?
2-(cyclopentylmethyl)-5-(fluoromethyl)-4-methyl-1,2,4-triazol-3-one has a molecular weight of 213.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-5-(fluoromethyl)-4-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 126953638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).