7-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyrido[3,4-b]pyrazin-5-amine

C16H15F3N6 — CID 66555696

IUPAC7-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyrido[3,4-b]pyrazin-5-amine
SMILESCN(C)c1ccc(-c2cc3nccnc3c(NCC(F)(F)F)n2)cn1
InChIInChI=1S/C16H15F3N6/c1-25(2)13-4-3-10(8-22-13)11-7-12-14(21-6-5-20-12)15(24-11)23-9-16(17,18)19/h3-8H,9H2,1-2H3,(H,23,24)
InChIKeyUHPJJAZNFIBQPH-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.13
Rot. Bonds4

About 7-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyrido[3,4-b]pyrazin-5-amine

7-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 66555696) has the molecular formula C16H15F3N6 and a molecular weight of 348.33 g/mol. Its IUPAC name is 7-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyrido[3,4-b]pyrazin-5-amine
PubChem CID66555696
Molecular FormulaC16H15F3N6
Molecular Weight348.33 g/mol
Exact Mass348.13
IUPAC Name7-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyrido[3,4-b]pyrazin-5-amine
SMILESCN(C)c1ccc(-c2cc3nccnc3c(NCC(F)(F)F)n2)cn1
InChIInChI=1S/C16H15F3N6/c1-25(2)13-4-3-10(8-22-13)11-7-12-14(21-6-5-20-12)15(24-11)23-9-16(17,18)19/h3-8H,9H2,1-2H3,(H,23,24)
InChIKeyUHPJJAZNFIBQPH-UHFFFAOYSA-N
XLogP3.13
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyrido[3,4-b]pyrazin-5-amine (CID 66555696) is 7-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyrido[3,4-b]pyrazin-5-amine is CN(C)c1ccc(-c2cc3nccnc3c(NCC(F)(F)F)n2)cn1.
What is the InChIKey of 7-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is UHPJJAZNFIBQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6/c1-25(2)13-4-3-10(8-22-13)11-7-12-14(21-6-5-20-12)15(24-11)23-9-16(17,18)19/h3-8H,9H2,1-2H3,(H,23,24).
What are the key properties of 7-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyrido[3,4-b]pyrazin-5-amine?
7-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 348.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 66555696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).