2-[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]ethanamine

C9H17FN4 — CID 84669520

IUPAC2-[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCC(C)(F)CCn1ncnc1CCN
InChIInChI=1S/C9H17FN4/c1-9(2,10)4-6-14-8(3-5-11)12-7-13-14/h7H,3-6,11H2,1-2H3
InChIKeyUZMKBSQMNIQVJS-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.92
Rot. Bonds5

About 2-[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]ethanamine

2-[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 84669520) has the molecular formula C9H17FN4 and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID84669520
Molecular FormulaC9H17FN4
Molecular Weight200.26 g/mol
Exact Mass200.14
IUPAC Name2-[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCC(C)(F)CCn1ncnc1CCN
InChIInChI=1S/C9H17FN4/c1-9(2,10)4-6-14-8(3-5-11)12-7-13-14/h7H,3-6,11H2,1-2H3
InChIKeyUZMKBSQMNIQVJS-UHFFFAOYSA-N
XLogP0.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]ethanamine (CID 84669520) is 2-[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]ethanamine is CC(C)(F)CCn1ncnc1CCN.
What is the InChIKey of 2-[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is UZMKBSQMNIQVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN4/c1-9(2,10)4-6-14-8(3-5-11)12-7-13-14/h7H,3-6,11H2,1-2H3.
What are the key properties of 2-[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]ethanamine?
2-[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 200.26 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 84669520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).