7-[[5-[(dimethylamino)methyl]-2-fluorophenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine

C15H17FN6S — CID 130365145

IUPAC7-[[5-[(dimethylamino)methyl]-2-fluorophenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCN(C)Cc1ccc(F)c(CSc2cc(N)nc3n[nH]nc23)c1
InChIInChI=1S/C15H17FN6S/c1-22(2)7-9-3-4-11(16)10(5-9)8-23-12-6-13(17)18-15-14(12)19-21-20-15/h3-6H,7-8H2,1-2H3,(H3,17,18,19,20,21)
InChIKeyYGDBTWZCWGQJKU-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.43
Rot. Bonds5

About 7-[[5-[(dimethylamino)methyl]-2-fluorophenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[5-[(dimethylamino)methyl]-2-fluorophenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130365145) has the molecular formula C15H17FN6S and a molecular weight of 332.41 g/mol. Its IUPAC name is 7-[[5-[(dimethylamino)methyl]-2-fluorophenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[5-[(dimethylamino)methyl]-2-fluorophenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130365145
Molecular FormulaC15H17FN6S
Molecular Weight332.41 g/mol
Exact Mass332.12
IUPAC Name7-[[5-[(dimethylamino)methyl]-2-fluorophenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCN(C)Cc1ccc(F)c(CSc2cc(N)nc3n[nH]nc23)c1
InChIInChI=1S/C15H17FN6S/c1-22(2)7-9-3-4-11(16)10(5-9)8-23-12-6-13(17)18-15-14(12)19-21-20-15/h3-6H,7-8H2,1-2H3,(H3,17,18,19,20,21)
InChIKeyYGDBTWZCWGQJKU-UHFFFAOYSA-N
XLogP2.43
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-[(dimethylamino)methyl]-2-fluorophenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[5-[(dimethylamino)methyl]-2-fluorophenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130365145) is 7-[[5-[(dimethylamino)methyl]-2-fluorophenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[5-[(dimethylamino)methyl]-2-fluorophenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[5-[(dimethylamino)methyl]-2-fluorophenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is CN(C)Cc1ccc(F)c(CSc2cc(N)nc3n[nH]nc23)c1.
What is the InChIKey of 7-[[5-[(dimethylamino)methyl]-2-fluorophenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is YGDBTWZCWGQJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6S/c1-22(2)7-9-3-4-11(16)10(5-9)8-23-12-6-13(17)18-15-14(12)19-21-20-15/h3-6H,7-8H2,1-2H3,(H3,17,18,19,20,21).
What are the key properties of 7-[[5-[(dimethylamino)methyl]-2-fluorophenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[5-[(dimethylamino)methyl]-2-fluorophenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 332.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-[(dimethylamino)methyl]-2-fluorophenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130365145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).