1-(5,6-difluorobenzotriazol-1-yl)-2-methylpropan-2-amine

C10H12F2N4 — CID 82146959

IUPAC1-(5,6-difluorobenzotriazol-1-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cn1nnc2cc(F)c(F)cc21
InChIInChI=1S/C10H12F2N4/c1-10(2,13)5-16-9-4-7(12)6(11)3-8(9)14-15-16/h3-4H,5,13H2,1-2H3
InChIKeyWOYHQWQCBRZGRQ-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.45
Rot. Bonds2

About 1-(5,6-difluorobenzotriazol-1-yl)-2-methylpropan-2-amine

1-(5,6-difluorobenzotriazol-1-yl)-2-methylpropan-2-amine (PubChem CID 82146959) has the molecular formula C10H12F2N4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-(5,6-difluorobenzotriazol-1-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5,6-difluorobenzotriazol-1-yl)-2-methylpropan-2-amine
PubChem CID82146959
Molecular FormulaC10H12F2N4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name1-(5,6-difluorobenzotriazol-1-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cn1nnc2cc(F)c(F)cc21
InChIInChI=1S/C10H12F2N4/c1-10(2,13)5-16-9-4-7(12)6(11)3-8(9)14-15-16/h3-4H,5,13H2,1-2H3
InChIKeyWOYHQWQCBRZGRQ-UHFFFAOYSA-N
XLogP1.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-difluorobenzotriazol-1-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5,6-difluorobenzotriazol-1-yl)-2-methylpropan-2-amine (CID 82146959) is 1-(5,6-difluorobenzotriazol-1-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5,6-difluorobenzotriazol-1-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5,6-difluorobenzotriazol-1-yl)-2-methylpropan-2-amine is CC(C)(N)Cn1nnc2cc(F)c(F)cc21.
What is the InChIKey of 1-(5,6-difluorobenzotriazol-1-yl)-2-methylpropan-2-amine?
The InChIKey is WOYHQWQCBRZGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4/c1-10(2,13)5-16-9-4-7(12)6(11)3-8(9)14-15-16/h3-4H,5,13H2,1-2H3.
What are the key properties of 1-(5,6-difluorobenzotriazol-1-yl)-2-methylpropan-2-amine?
1-(5,6-difluorobenzotriazol-1-yl)-2-methylpropan-2-amine has a molecular weight of 226.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-difluorobenzotriazol-1-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 82146959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).