3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine

C11H13F6N3 — CID 103311965

IUPAC3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine
SMILESCCCNC(c1cnccn1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F6N3/c1-2-3-20-8(7-6-18-4-5-19-7)9(10(12,13)14)11(15,16)17/h4-6,8-9,20H,2-3H2,1H3
InChIKeyWPAIEPLFTZYNNF-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.26
Rot. Bonds5

About 3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine

3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine (PubChem CID 103311965) has the molecular formula C11H13F6N3 and a molecular weight of 301.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine
PubChem CID103311965
Molecular FormulaC11H13F6N3
Molecular Weight301.23 g/mol
Exact Mass301.10
IUPAC Name3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine
SMILESCCCNC(c1cnccn1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F6N3/c1-2-3-20-8(7-6-18-4-5-19-7)9(10(12,13)14)11(15,16)17/h4-6,8-9,20H,2-3H2,1H3
InChIKeyWPAIEPLFTZYNNF-UHFFFAOYSA-N
XLogP3.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine
CID 103759753
4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 64567832
2-cyclopropyl-N-propyl-1-pyrazin-2-ylpropan-1-amine
CID 115860641
2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 116726100
3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312287
2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 115860421
N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 62542571
N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860582
N-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine
CID 80611076
4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine
CID 81343203
N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63990262
N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819950

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine (CID 103311965) is 3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine is CCCNC(c1cnccn1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is WPAIEPLFTZYNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F6N3/c1-2-3-20-8(7-6-18-4-5-19-7)9(10(12,13)14)11(15,16)17/h4-6,8-9,20H,2-3H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 301.23 g/mol, XLogP of 3.26, 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-yl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103311965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).