3-[4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

C14H24FN5 — CID 91770191

IUPAC3-[4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCn1c(CN2CCC(F)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C14H24FN5/c1-2-20-13(9-19-5-3-11(15)4-6-19)17-18-14(20)10-7-12(16)8-10/h10-12H,2-9,16H2,1H3
InChIKeyZWCYMDYDFPVLDA-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.44
Rot. Bonds4

About 3-[4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91770191) has the molecular formula C14H24FN5 and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-[4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91770191
Molecular FormulaC14H24FN5
Molecular Weight281.38 g/mol
Exact Mass281.20
IUPAC Name3-[4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCn1c(CN2CCC(F)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C14H24FN5/c1-2-20-13(9-19-5-3-11(15)4-6-19)17-18-14(20)10-7-12(16)8-10/h10-12H,2-9,16H2,1H3
InChIKeyZWCYMDYDFPVLDA-UHFFFAOYSA-N
XLogP1.44
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91770191) is 3-[4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is CCn1c(CN2CCC(F)CC2)nnc1C1CC(N)C1.
What is the InChIKey of 3-[4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is ZWCYMDYDFPVLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN5/c1-2-20-13(9-19-5-3-11(15)4-6-19)17-18-14(20)10-7-12(16)8-10/h10-12H,2-9,16H2,1H3.
What are the key properties of 3-[4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 281.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91770191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).