1-(5-bromo-3-methyltriazol-4-yl)-1-fluoro-N,2-dimethylpropan-2-amine

C8H14BrFN4 — CID 130589747

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-1-fluoro-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)C(F)c1c(Br)nnn1C
InChIInChI=1S/C8H14BrFN4/c1-8(2,11-3)6(10)5-7(9)12-13-14(5)4/h6,11H,1-4H3
InChIKeyQGHRCPQUDSLGJA-UHFFFAOYSA-N
MW265.13 g/mol
LogP1.59
Rot. Bonds3

About 1-(5-bromo-3-methyltriazol-4-yl)-1-fluoro-N,2-dimethylpropan-2-amine

1-(5-bromo-3-methyltriazol-4-yl)-1-fluoro-N,2-dimethylpropan-2-amine (PubChem CID 130589747) has the molecular formula C8H14BrFN4 and a molecular weight of 265.13 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-1-fluoro-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-1-fluoro-N,2-dimethylpropan-2-amine
PubChem CID130589747
Molecular FormulaC8H14BrFN4
Molecular Weight265.13 g/mol
Exact Mass264.04
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-1-fluoro-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)C(F)c1c(Br)nnn1C
InChIInChI=1S/C8H14BrFN4/c1-8(2,11-3)6(10)5-7(9)12-13-14(5)4/h6,11H,1-4H3
InChIKeyQGHRCPQUDSLGJA-UHFFFAOYSA-N
XLogP1.59
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-1-fluoro-N,2-dimethylpropan-2-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-1-fluoro-N,2-dimethylpropan-2-amine (CID 130589747) is 1-(5-bromo-3-methyltriazol-4-yl)-1-fluoro-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-1-fluoro-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-1-fluoro-N,2-dimethylpropan-2-amine is CNC(C)(C)C(F)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-1-fluoro-N,2-dimethylpropan-2-amine?
The InChIKey is QGHRCPQUDSLGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrFN4/c1-8(2,11-3)6(10)5-7(9)12-13-14(5)4/h6,11H,1-4H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-1-fluoro-N,2-dimethylpropan-2-amine?
1-(5-bromo-3-methyltriazol-4-yl)-1-fluoro-N,2-dimethylpropan-2-amine has a molecular weight of 265.13 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-1-fluoro-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 130589747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).