6-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C14H17FN4 — CID 118740676

IUPAC6-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCn1ncnc1CNC1CCCc2cc(F)ccc21
InChIInChI=1S/C14H17FN4/c1-19-14(17-9-18-19)8-16-13-4-2-3-10-7-11(15)5-6-12(10)13/h5-7,9,13,16H,2-4,8H2,1H3
InChIKeyIURRGLJMENNKJA-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.12
Rot. Bonds3

About 6-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

6-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 118740676) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 6-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID118740676
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name6-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCn1ncnc1CNC1CCCc2cc(F)ccc21
InChIInChI=1S/C14H17FN4/c1-19-14(17-9-18-19)8-16-13-4-2-3-10-7-11(15)5-6-12(10)13/h5-7,9,13,16H,2-4,8H2,1H3
InChIKeyIURRGLJMENNKJA-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 118740676) is 6-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is Cn1ncnc1CNC1CCCc2cc(F)ccc21.
What is the InChIKey of 6-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is IURRGLJMENNKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-19-14(17-9-18-19)8-16-13-4-2-3-10-7-11(15)5-6-12(10)13/h5-7,9,13,16H,2-4,8H2,1H3.
What are the key properties of 6-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
6-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 260.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 118740676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).