7-[[1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

C17H14F3N7 — CID 126676782

IUPAC7-[[1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cn(Cc3ccccc3)nc2C(F)(F)F)c2n[nH]nc2n1
InChIInChI=1S/C17H14F3N7/c18-17(19,20)15-12(9-27(25-15)8-10-4-2-1-3-5-10)6-11-7-13(21)22-16-14(11)23-26-24-16/h1-5,7,9H,6,8H2,(H3,21,22,23,24,26)
InChIKeyWKFZLAMTDDIGCF-UHFFFAOYSA-N
MW373.34 g/mol
LogP2.79
Rot. Bonds4

About 7-[[1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126676782) has the molecular formula C17H14F3N7 and a molecular weight of 373.34 g/mol. Its IUPAC name is 7-[[1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126676782
Molecular FormulaC17H14F3N7
Molecular Weight373.34 g/mol
Exact Mass373.13
IUPAC Name7-[[1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cn(Cc3ccccc3)nc2C(F)(F)F)c2n[nH]nc2n1
InChIInChI=1S/C17H14F3N7/c18-17(19,20)15-12(9-27(25-15)8-10-4-2-1-3-5-10)6-11-7-13(21)22-16-14(11)23-26-24-16/h1-5,7,9H,6,8H2,(H3,21,22,23,24,26)
InChIKeyWKFZLAMTDDIGCF-UHFFFAOYSA-N
XLogP2.79
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126676782) is 7-[[1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2cn(Cc3ccccc3)nc2C(F)(F)F)c2n[nH]nc2n1.
What is the InChIKey of 7-[[1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is WKFZLAMTDDIGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N7/c18-17(19,20)15-12(9-27(25-15)8-10-4-2-1-3-5-10)6-11-7-13(21)22-16-14(11)23-26-24-16/h1-5,7,9H,6,8H2,(H3,21,22,23,24,26).
What are the key properties of 7-[[1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 373.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126676782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).