3,3,3-trifluoro-N-propyl-1-pyrazin-2-ylpropan-1-amine

C10H14F3N3 — CID 63969649

IUPAC3,3,3-trifluoro-N-propyl-1-pyrazin-2-ylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1cnccn1
InChIInChI=1S/C10H14F3N3/c1-2-3-15-8(6-10(11,12)13)9-7-14-4-5-16-9/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyPFDHUKFJGSOUPO-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.47
Rot. Bonds5

About 3,3,3-trifluoro-N-propyl-1-pyrazin-2-ylpropan-1-amine

3,3,3-trifluoro-N-propyl-1-pyrazin-2-ylpropan-1-amine (PubChem CID 63969649) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-propyl-1-pyrazin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-propyl-1-pyrazin-2-ylpropan-1-amine
PubChem CID63969649
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name3,3,3-trifluoro-N-propyl-1-pyrazin-2-ylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1cnccn1
InChIInChI=1S/C10H14F3N3/c1-2-3-15-8(6-10(11,12)13)9-7-14-4-5-16-9/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyPFDHUKFJGSOUPO-UHFFFAOYSA-N
XLogP2.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-propyl-1-pyrazin-2-ylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-propyl-1-pyrazin-2-ylpropan-1-amine (CID 63969649) is 3,3,3-trifluoro-N-propyl-1-pyrazin-2-ylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-propyl-1-pyrazin-2-ylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-propyl-1-pyrazin-2-ylpropan-1-amine is CCCNC(CC(F)(F)F)c1cnccn1.
What is the InChIKey of 3,3,3-trifluoro-N-propyl-1-pyrazin-2-ylpropan-1-amine?
The InChIKey is PFDHUKFJGSOUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-2-3-15-8(6-10(11,12)13)9-7-14-4-5-16-9/h4-5,7-8,15H,2-3,6H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-propyl-1-pyrazin-2-ylpropan-1-amine?
3,3,3-trifluoro-N-propyl-1-pyrazin-2-ylpropan-1-amine has a molecular weight of 233.24 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-propyl-1-pyrazin-2-ylpropan-1-amine is sourced from PubChem (CID 63969649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).