4-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]-4-azaspiro[2.4]heptane

C15H17FN4 — CID 146103621

IUPAC4-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]-4-azaspiro[2.4]heptane
SMILESCn1c(-c2ccccc2F)nnc1N1CCCC12CC2
InChIInChI=1S/C15H17FN4/c1-19-13(11-5-2-3-6-12(11)16)17-18-14(19)20-10-4-7-15(20)8-9-15/h2-3,5-6H,4,7-10H2,1H3
InChIKeyLZQFKECJBJYCPM-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.75
Rot. Bonds2

About 4-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]-4-azaspiro[2.4]heptane

4-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]-4-azaspiro[2.4]heptane (PubChem CID 146103621) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]-4-azaspiro[2.4]heptane.

Molecular Properties

Compound Name4-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]-4-azaspiro[2.4]heptane
PubChem CID146103621
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name4-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]-4-azaspiro[2.4]heptane
SMILESCn1c(-c2ccccc2F)nnc1N1CCCC12CC2
InChIInChI=1S/C15H17FN4/c1-19-13(11-5-2-3-6-12(11)16)17-18-14(19)20-10-4-7-15(20)8-9-15/h2-3,5-6H,4,7-10H2,1H3
InChIKeyLZQFKECJBJYCPM-UHFFFAOYSA-N
XLogP2.75
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]-4-azaspiro[2.4]heptane?
The IUPAC name of 4-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]-4-azaspiro[2.4]heptane (CID 146103621) is 4-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]-4-azaspiro[2.4]heptane.
What is the SMILES notation for 4-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]-4-azaspiro[2.4]heptane?
The canonical SMILES for 4-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]-4-azaspiro[2.4]heptane is Cn1c(-c2ccccc2F)nnc1N1CCCC12CC2.
What is the InChIKey of 4-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]-4-azaspiro[2.4]heptane?
The InChIKey is LZQFKECJBJYCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c1-19-13(11-5-2-3-6-12(11)16)17-18-14(19)20-10-4-7-15(20)8-9-15/h2-3,5-6H,4,7-10H2,1H3.
What are the key properties of 4-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]-4-azaspiro[2.4]heptane?
4-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]-4-azaspiro[2.4]heptane has a molecular weight of 272.33 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]-4-azaspiro[2.4]heptane is sourced from PubChem (CID 146103621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).