7-[[5-(trifluoromethyl)furan-2-yl]methyl]-2H-triazolo[4,5-b]pyridin-6-amine

C11H8F3N5O — CID 126649787

IUPAC7-[[5-(trifluoromethyl)furan-2-yl]methyl]-2H-triazolo[4,5-b]pyridin-6-amine
SMILESNc1cnc2n[nH]nc2c1Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C11H8F3N5O/c12-11(13,14)8-2-1-5(20-8)3-6-7(15)4-16-10-9(6)17-19-18-10/h1-2,4H,3,15H2,(H,16,17,18,19)
InChIKeyRBMDELFXABETOJ-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.14
Rot. Bonds2

About 7-[[5-(trifluoromethyl)furan-2-yl]methyl]-2H-triazolo[4,5-b]pyridin-6-amine

7-[[5-(trifluoromethyl)furan-2-yl]methyl]-2H-triazolo[4,5-b]pyridin-6-amine (PubChem CID 126649787) has the molecular formula C11H8F3N5O and a molecular weight of 283.21 g/mol. Its IUPAC name is 7-[[5-(trifluoromethyl)furan-2-yl]methyl]-2H-triazolo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name7-[[5-(trifluoromethyl)furan-2-yl]methyl]-2H-triazolo[4,5-b]pyridin-6-amine
PubChem CID126649787
Molecular FormulaC11H8F3N5O
Molecular Weight283.21 g/mol
Exact Mass283.07
IUPAC Name7-[[5-(trifluoromethyl)furan-2-yl]methyl]-2H-triazolo[4,5-b]pyridin-6-amine
SMILESNc1cnc2n[nH]nc2c1Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C11H8F3N5O/c12-11(13,14)8-2-1-5(20-8)3-6-7(15)4-16-10-9(6)17-19-18-10/h1-2,4H,3,15H2,(H,16,17,18,19)
InChIKeyRBMDELFXABETOJ-UHFFFAOYSA-N
XLogP2.14
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-(trifluoromethyl)furan-2-yl]methyl]-2H-triazolo[4,5-b]pyridin-6-amine?
The IUPAC name of 7-[[5-(trifluoromethyl)furan-2-yl]methyl]-2H-triazolo[4,5-b]pyridin-6-amine (CID 126649787) is 7-[[5-(trifluoromethyl)furan-2-yl]methyl]-2H-triazolo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 7-[[5-(trifluoromethyl)furan-2-yl]methyl]-2H-triazolo[4,5-b]pyridin-6-amine?
The canonical SMILES for 7-[[5-(trifluoromethyl)furan-2-yl]methyl]-2H-triazolo[4,5-b]pyridin-6-amine is Nc1cnc2n[nH]nc2c1Cc1ccc(C(F)(F)F)o1.
What is the InChIKey of 7-[[5-(trifluoromethyl)furan-2-yl]methyl]-2H-triazolo[4,5-b]pyridin-6-amine?
The InChIKey is RBMDELFXABETOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N5O/c12-11(13,14)8-2-1-5(20-8)3-6-7(15)4-16-10-9(6)17-19-18-10/h1-2,4H,3,15H2,(H,16,17,18,19).
What are the key properties of 7-[[5-(trifluoromethyl)furan-2-yl]methyl]-2H-triazolo[4,5-b]pyridin-6-amine?
7-[[5-(trifluoromethyl)furan-2-yl]methyl]-2H-triazolo[4,5-b]pyridin-6-amine has a molecular weight of 283.21 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(trifluoromethyl)furan-2-yl]methyl]-2H-triazolo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 126649787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).