N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(3,3,3-trifluoropropyl)-1,2-benzoxazol-6-amine

C15H11F3N6O — CID 134190220

IUPACN-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(3,3,3-trifluoropropyl)-1,2-benzoxazol-6-amine
SMILESFC(F)(F)CCc1noc2cc(Nc3[nH]nc4nccnc34)ccc12
InChIInChI=1S/C15H11F3N6O/c16-15(17,18)4-3-10-9-2-1-8(7-11(9)25-24-10)21-14-12-13(22-23-14)20-6-5-19-12/h1-2,5-7H,3-4H2,(H2,20,21,22,23)
InChIKeyOBSNXXBZPJIGMS-UHFFFAOYSA-N
MW348.29 g/mol
LogP3.73
Rot. Bonds4

About N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(3,3,3-trifluoropropyl)-1,2-benzoxazol-6-amine

N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(3,3,3-trifluoropropyl)-1,2-benzoxazol-6-amine (PubChem CID 134190220) has the molecular formula C15H11F3N6O and a molecular weight of 348.29 g/mol. Its IUPAC name is N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(3,3,3-trifluoropropyl)-1,2-benzoxazol-6-amine.

Molecular Properties

Compound NameN-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(3,3,3-trifluoropropyl)-1,2-benzoxazol-6-amine
PubChem CID134190220
Molecular FormulaC15H11F3N6O
Molecular Weight348.29 g/mol
Exact Mass348.09
IUPAC NameN-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(3,3,3-trifluoropropyl)-1,2-benzoxazol-6-amine
SMILESFC(F)(F)CCc1noc2cc(Nc3[nH]nc4nccnc34)ccc12
InChIInChI=1S/C15H11F3N6O/c16-15(17,18)4-3-10-9-2-1-8(7-11(9)25-24-10)21-14-12-13(22-23-14)20-6-5-19-12/h1-2,5-7H,3-4H2,(H2,20,21,22,23)
InChIKeyOBSNXXBZPJIGMS-UHFFFAOYSA-N
XLogP3.73
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(3,3,3-trifluoropropyl)-1,2-benzoxazol-6-amine?
The IUPAC name of N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(3,3,3-trifluoropropyl)-1,2-benzoxazol-6-amine (CID 134190220) is N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(3,3,3-trifluoropropyl)-1,2-benzoxazol-6-amine.
What is the SMILES notation for N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(3,3,3-trifluoropropyl)-1,2-benzoxazol-6-amine?
The canonical SMILES for N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(3,3,3-trifluoropropyl)-1,2-benzoxazol-6-amine is FC(F)(F)CCc1noc2cc(Nc3[nH]nc4nccnc34)ccc12.
What is the InChIKey of N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(3,3,3-trifluoropropyl)-1,2-benzoxazol-6-amine?
The InChIKey is OBSNXXBZPJIGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O/c16-15(17,18)4-3-10-9-2-1-8(7-11(9)25-24-10)21-14-12-13(22-23-14)20-6-5-19-12/h1-2,5-7H,3-4H2,(H2,20,21,22,23).
What are the key properties of N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(3,3,3-trifluoropropyl)-1,2-benzoxazol-6-amine?
N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(3,3,3-trifluoropropyl)-1,2-benzoxazol-6-amine has a molecular weight of 348.29 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(3,3,3-trifluoropropyl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 134190220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).