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

C8H15FN4 — CID 84660610

IUPAC[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)(F)CCn1ncnc1CN
InChIInChI=1S/C8H15FN4/c1-8(2,9)3-4-13-7(5-10)11-6-12-13/h6H,3-5,10H2,1-2H3
InChIKeyBHIHFBRMGIPJQZ-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.88
Rot. Bonds4

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

[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 84660610) has the molecular formula C8H15FN4 and a molecular weight of 186.23 g/mol. Its IUPAC name is [2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID84660610
Molecular FormulaC8H15FN4
Molecular Weight186.23 g/mol
Exact Mass186.13
IUPAC Name[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)(F)CCn1ncnc1CN
InChIInChI=1S/C8H15FN4/c1-8(2,9)3-4-13-7(5-10)11-6-12-13/h6H,3-5,10H2,1-2H3
InChIKeyBHIHFBRMGIPJQZ-UHFFFAOYSA-N
XLogP0.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]methanamine (CID 84660610) is [2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]methanamine is CC(C)(F)CCn1ncnc1CN.
What is the InChIKey of [2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is BHIHFBRMGIPJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN4/c1-8(2,9)3-4-13-7(5-10)11-6-12-13/h6H,3-5,10H2,1-2H3.
What are the key properties of [2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]methanamine?
[2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 186.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-3-methylbutyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 84660610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).