2-[3-(difluoromethyl)pyrazin-2-yl]butan-2-amine

C9H13F2N3 — CID 126982747

IUPAC2-[3-(difluoromethyl)pyrazin-2-yl]butan-2-amine
SMILESCCC(C)(N)c1nccnc1C(F)F
InChIInChI=1S/C9H13F2N3/c1-3-9(2,12)7-6(8(10)11)13-4-5-14-7/h4-5,8H,3,12H2,1-2H3
InChIKeyQHZQMTXZTDSFFK-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.00
Rot. Bonds3

About 2-[3-(difluoromethyl)pyrazin-2-yl]butan-2-amine

2-[3-(difluoromethyl)pyrazin-2-yl]butan-2-amine (PubChem CID 126982747) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)pyrazin-2-yl]butan-2-amine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)pyrazin-2-yl]butan-2-amine
PubChem CID126982747
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name2-[3-(difluoromethyl)pyrazin-2-yl]butan-2-amine
SMILESCCC(C)(N)c1nccnc1C(F)F
InChIInChI=1S/C9H13F2N3/c1-3-9(2,12)7-6(8(10)11)13-4-5-14-7/h4-5,8H,3,12H2,1-2H3
InChIKeyQHZQMTXZTDSFFK-UHFFFAOYSA-N
XLogP2.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-3-[(2R)-3-methylbutan-2-yl]pyrazine
CID 135291647
2-bromo-3-(3-methyloctan-3-yl)pyrazine
CID 146376762
2-chloro-3-(2-methylbutan-2-yl)pyrazine
CID 130847385
2-[(2S)-2-aminobutan-2-yl]-4-(difluoromethyl)-1H-pyrimidin-6-one
CID 136667067
[2-(difluoromethyl)-4-methyl-3-pyridinyl]methanamine
CID 130097549
4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine
CID 114207291
(2S)-2-amino-2-(3-fluoro-2-pyridinyl)propan-1-ol
CID 55276302
[2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118818433
2-(5-chloro-2-methoxypyrimidin-4-yl)butan-2-amine
CID 130545438
ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
CID 134663371
2-(1,2,4-oxadiazol-5-yl)butan-2-amine
CID 102993856
2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine
CID 130096732

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)pyrazin-2-yl]butan-2-amine?
The IUPAC name of 2-[3-(difluoromethyl)pyrazin-2-yl]butan-2-amine (CID 126982747) is 2-[3-(difluoromethyl)pyrazin-2-yl]butan-2-amine.
What is the SMILES notation for 2-[3-(difluoromethyl)pyrazin-2-yl]butan-2-amine?
The canonical SMILES for 2-[3-(difluoromethyl)pyrazin-2-yl]butan-2-amine is CCC(C)(N)c1nccnc1C(F)F.
What is the InChIKey of 2-[3-(difluoromethyl)pyrazin-2-yl]butan-2-amine?
The InChIKey is QHZQMTXZTDSFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-3-9(2,12)7-6(8(10)11)13-4-5-14-7/h4-5,8H,3,12H2,1-2H3.
What are the key properties of 2-[3-(difluoromethyl)pyrazin-2-yl]butan-2-amine?
2-[3-(difluoromethyl)pyrazin-2-yl]butan-2-amine has a molecular weight of 201.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)pyrazin-2-yl]butan-2-amine is sourced from PubChem (CID 126982747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).