4-(7-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile

C13H8FN5 — CID 122540310

IUPAC4-(7-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
SMILESN#Cc1ccc(-c2c(F)c(N)cc3ncnn23)cc1
InChIInChI=1S/C13H8FN5/c14-12-10(16)5-11-17-7-18-19(11)13(12)9-3-1-8(6-15)2-4-9/h1-5,7H,16H2
InChIKeyQMHVUOAGWLRDPP-UHFFFAOYSA-N
MW253.24 g/mol
LogP1.99
Rot. Bonds1

About 4-(7-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile

4-(7-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile (PubChem CID 122540310) has the molecular formula C13H8FN5 and a molecular weight of 253.24 g/mol. Its IUPAC name is 4-(7-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile.

Molecular Properties

Compound Name4-(7-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
PubChem CID122540310
Molecular FormulaC13H8FN5
Molecular Weight253.24 g/mol
Exact Mass253.08
IUPAC Name4-(7-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
SMILESN#Cc1ccc(-c2c(F)c(N)cc3ncnn23)cc1
InChIInChI=1S/C13H8FN5/c14-12-10(16)5-11-17-7-18-19(11)13(12)9-3-1-8(6-15)2-4-9/h1-5,7H,16H2
InChIKeyQMHVUOAGWLRDPP-UHFFFAOYSA-N
XLogP1.99
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The IUPAC name of 4-(7-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile (CID 122540310) is 4-(7-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile.
What is the SMILES notation for 4-(7-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The canonical SMILES for 4-(7-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile is N#Cc1ccc(-c2c(F)c(N)cc3ncnn23)cc1.
What is the InChIKey of 4-(7-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The InChIKey is QMHVUOAGWLRDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN5/c14-12-10(16)5-11-17-7-18-19(11)13(12)9-3-1-8(6-15)2-4-9/h1-5,7H,16H2.
What are the key properties of 4-(7-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
4-(7-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile has a molecular weight of 253.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile is sourced from PubChem (CID 122540310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).