1,1,1-trifluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine

C8H8F3N5 — CID 79816924

IUPAC1,1,1-trifluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine
SMILESCC(N)(c1nnc2ccncn12)C(F)(F)F
InChIInChI=1S/C8H8F3N5/c1-7(12,8(9,10)11)6-15-14-5-2-3-13-4-16(5)6/h2-4H,12H2,1H3
InChIKeyCUIGYFUYADPPTC-UHFFFAOYSA-N
MW231.18 g/mol
LogP0.86
Rot. Bonds1

About 1,1,1-trifluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine

1,1,1-trifluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine (PubChem CID 79816924) has the molecular formula C8H8F3N5 and a molecular weight of 231.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine
PubChem CID79816924
Molecular FormulaC8H8F3N5
Molecular Weight231.18 g/mol
Exact Mass231.07
IUPAC Name1,1,1-trifluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine
SMILESCC(N)(c1nnc2ccncn12)C(F)(F)F
InChIInChI=1S/C8H8F3N5/c1-7(12,8(9,10)11)6-15-14-5-2-3-13-4-16(5)6/h2-4H,12H2,1H3
InChIKeyCUIGYFUYADPPTC-UHFFFAOYSA-N
XLogP0.86
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine (CID 79816924) is 1,1,1-trifluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine is CC(N)(c1nnc2ccncn12)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine?
The InChIKey is CUIGYFUYADPPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5/c1-7(12,8(9,10)11)6-15-14-5-2-3-13-4-16(5)6/h2-4H,12H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine?
1,1,1-trifluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine has a molecular weight of 231.18 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine is sourced from PubChem (CID 79816924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).