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

C15H12F2N8S — CID 130365266

IUPAC7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(SCc2nn(-c3ccccc3)nc2C(F)F)c2n[nH]nc2n1
InChIInChI=1S/C15H12F2N8S/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)
InChIKeyMURSOJYDHBVUKN-UHFFFAOYSA-N
MW374.38 g/mol
LogP2.75
Rot. Bonds5

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

7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130365266) has the molecular formula C15H12F2N8S and a molecular weight of 374.38 g/mol. Its IUPAC name is 7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130365266
Molecular FormulaC15H12F2N8S
Molecular Weight374.38 g/mol
Exact Mass374.09
IUPAC Name7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(SCc2nn(-c3ccccc3)nc2C(F)F)c2n[nH]nc2n1
InChIInChI=1S/C15H12F2N8S/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)
InChIKeyMURSOJYDHBVUKN-UHFFFAOYSA-N
XLogP2.75
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130365266) is 7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(SCc2nn(-c3ccccc3)nc2C(F)F)c2n[nH]nc2n1.
What is the InChIKey of 7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is MURSOJYDHBVUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N8S/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]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 374.38 g/mol, XLogP of 2.75, 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]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130365266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).