7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C15H12F2N8O — CID 118950274

IUPAC7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2nn(-c3ccccc3)nc2C(F)F)c2n[nH]nc2n1
InChIInChI=1S/C15H12F2N8O/c16-14(17)12-9(22-25(23-12)8-4-2-1-3-5-8)7-26-10-6-11(18)19-15-13(10)20-24-21-15/h1-6,14H,7H2,(H3,18,19,20,21,24)
InChIKeyNQGLACHXBNXTAX-UHFFFAOYSA-N
MW358.31 g/mol
LogP2.03
Rot. Bonds5

About 7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 118950274) has the molecular formula C15H12F2N8O and a molecular weight of 358.31 g/mol. Its IUPAC name is 7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID118950274
Molecular FormulaC15H12F2N8O
Molecular Weight358.31 g/mol
Exact Mass358.11
IUPAC Name7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2nn(-c3ccccc3)nc2C(F)F)c2n[nH]nc2n1
InChIInChI=1S/C15H12F2N8O/c16-14(17)12-9(22-25(23-12)8-4-2-1-3-5-8)7-26-10-6-11(18)19-15-13(10)20-24-21-15/h1-6,14H,7H2,(H3,18,19,20,21,24)
InChIKeyNQGLACHXBNXTAX-UHFFFAOYSA-N
XLogP2.03
TPSA120.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

7-phenylmethoxy-2H-triazolo[4,5-b]pyridin-5-amine
CID 6415548
7-[(1-phenyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949632
7-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950056
7-((2-Fluorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648996
7-[[3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678812
7-[[3-(2-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678929
[5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol
CID 130365899
7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949422
7-[[2-(3-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949625
7-[[6-(trifluoromethyl)pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949703
7-[[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949729
7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949734

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 118950274) is 7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2nn(-c3ccccc3)nc2C(F)F)c2n[nH]nc2n1.
What is the InChIKey of 7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is NQGLACHXBNXTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N8O/c16-14(17)12-9(22-25(23-12)8-4-2-1-3-5-8)7-26-10-6-11(18)19-15-13(10)20-24-21-15/h1-6,14H,7H2,(H3,18,19,20,21,24).
What are the key properties of 7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 358.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 118950274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).