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

C15H13FN8O — CID 118949734

IUPAC7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1nn(-c2ccc(F)cc2)nc1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C15H13FN8O/c1-8-11(22-24(21-8)10-4-2-9(16)3-5-10)7-25-12-6-13(17)18-15-14(12)19-23-20-15/h2-6H,7H2,1H3,(H3,17,18,19,20,23)
InChIKeyRTSNYLJRLUILAH-UHFFFAOYSA-N
MW340.32 g/mol
LogP1.54
Rot. Bonds4

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

7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 118949734) has the molecular formula C15H13FN8O and a molecular weight of 340.32 g/mol. Its IUPAC name is 7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID118949734
Molecular FormulaC15H13FN8O
Molecular Weight340.32 g/mol
Exact Mass340.12
IUPAC Name7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1nn(-c2ccc(F)cc2)nc1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C15H13FN8O/c1-8-11(22-24(21-8)10-4-2-9(16)3-5-10)7-25-12-6-13(17)18-15-14(12)19-23-20-15/h2-6H,7H2,1H3,(H3,17,18,19,20,23)
InChIKeyRTSNYLJRLUILAH-UHFFFAOYSA-N
XLogP1.54
TPSA120.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 118949734) is 7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Cc1nn(-c2ccc(F)cc2)nc1COc1cc(N)nc2n[nH]nc12.
What is the InChIKey of 7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is RTSNYLJRLUILAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN8O/c1-8-11(22-24(21-8)10-4-2-9(16)3-5-10)7-25-12-6-13(17)18-15-14(12)19-23-20-15/h2-6H,7H2,1H3,(H3,17,18,19,20,23).
What are the key properties of 7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 340.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 118949734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).