4-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C14H17FN4 — CID 81344887

IUPAC4-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2c(F)cccc21)c1nncn1C
InChIInChI=1S/C14H17FN4/c1-9(14-18-16-8-19(14)2)17-13-7-6-10-11(13)4-3-5-12(10)15/h3-5,8-9,13,17H,6-7H2,1-2H3
InChIKeyKFAHPTXJNBTMKZ-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.29
Rot. Bonds3

About 4-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 81344887) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID81344887
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name4-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2c(F)cccc21)c1nncn1C
InChIInChI=1S/C14H17FN4/c1-9(14-18-16-8-19(14)2)17-13-7-6-10-11(13)4-3-5-12(10)15/h3-5,8-9,13,17H,6-7H2,1-2H3
InChIKeyKFAHPTXJNBTMKZ-UHFFFAOYSA-N
XLogP2.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 81344887) is 4-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is CC(NC1CCc2c(F)cccc21)c1nncn1C.
What is the InChIKey of 4-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is KFAHPTXJNBTMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-9(14-18-16-8-19(14)2)17-13-7-6-10-11(13)4-3-5-12(10)15/h3-5,8-9,13,17H,6-7H2,1-2H3.
What are the key properties of 4-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 260.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81344887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).