3,5-bis[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine

C16H9F6N5 — CID 72711839

IUPAC3,5-bis[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
SMILESNc1ncc(-c2ccc(C(F)(F)F)nc2)nc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H9F6N5/c17-15(18,19)11-3-1-8(5-24-11)10-7-26-14(23)13(27-10)9-2-4-12(25-6-9)16(20,21)22/h1-7H,(H2,23,26)
InChIKeyCIRJRNWHSTUMGN-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.22
Rot. Bonds2

About 3,5-bis[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine

3,5-bis[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine (PubChem CID 72711839) has the molecular formula C16H9F6N5 and a molecular weight of 385.27 g/mol. Its IUPAC name is 3,5-bis[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound Name3,5-bis[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
PubChem CID72711839
Molecular FormulaC16H9F6N5
Molecular Weight385.27 g/mol
Exact Mass385.08
IUPAC Name3,5-bis[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
SMILESNc1ncc(-c2ccc(C(F)(F)F)nc2)nc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H9F6N5/c17-15(18,19)11-3-1-8(5-24-11)10-7-26-14(23)13(27-10)9-2-4-12(25-6-9)16(20,21)22/h1-7H,(H2,23,26)
InChIKeyCIRJRNWHSTUMGN-UHFFFAOYSA-N
XLogP4.22
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
N-[4-(Trifluoromethyl)phenyl]-N-[1-[5-(Trifluoromethyl)pyridin-2-Yl]piperidin-4-Yl]pyridin-3-Amine
CID 71720883
6,6'-(Pyridine-3,5-Diyldiethane-2,1-Diyl)bis(4-Methylpyridin-2-Amine)
CID 46847260
6-(2-{5-[2-(2-Amino-6-Methylpyridin-4-Yl)ethyl]pyridin-3-Yl}ethyl)-4-Methylpyridin-2-Amine
CID 46892823
Nct-502
CID 49853368
6-(2-Fluoropyridin-4-Yl)pyrido[3,2-D]pyrimidin-4-Amine
CID 72703518
(R)-6-(3-Amino-2-(5-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)pyridin-3-Yl)propyl)-4-Methylpyridin-2-Amine
CID 73659118
6(3Amino2{5[2(6amino4methylpyridin2 yl)ethyl]pyridin3yl}propyl)4methylpyridin2amine (7)
CID 86767080
6-[(2s)-3-Amino-2-{5-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]pyridin-3-Yl}propyl]-4-Methylpyridin-2-Amine
CID 90656641
N1-(5-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)pyridin-3-Yl)-N1,N2-Dimethylethane-1,2-Diamine
CID 91808031
3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine
CID 118310209

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of 3,5-bis[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine (CID 72711839) is 3,5-bis[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for 3,5-bis[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for 3,5-bis[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine is Nc1ncc(-c2ccc(C(F)(F)F)nc2)nc1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3,5-bis[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The InChIKey is CIRJRNWHSTUMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F6N5/c17-15(18,19)11-3-1-8(5-24-11)10-7-26-14(23)13(27-10)9-2-4-12(25-6-9)16(20,21)22/h1-7H,(H2,23,26).
What are the key properties of 3,5-bis[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
3,5-bis[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine has a molecular weight of 385.27 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 72711839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).