4-(7-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3-fluorobenzonitrile

C13H8FN5 — CID 122540283

IUPAC4-(7-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3-fluorobenzonitrile
SMILESN#Cc1ccc(-c2cc(N)cc3ncnn23)c(F)c1
InChIInChI=1S/C13H8FN5/c14-11-3-8(6-15)1-2-10(11)12-4-9(16)5-13-17-7-18-19(12)13/h1-5,7H,16H2
InChIKeyVNYPOTBWRCUJAW-UHFFFAOYSA-N
MW253.24 g/mol
LogP1.99
Rot. Bonds1

About 4-(7-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3-fluorobenzonitrile

4-(7-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3-fluorobenzonitrile (PubChem CID 122540283) has the molecular formula C13H8FN5 and a molecular weight of 253.24 g/mol. Its IUPAC name is 4-(7-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(7-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3-fluorobenzonitrile
PubChem CID122540283
Molecular FormulaC13H8FN5
Molecular Weight253.24 g/mol
Exact Mass253.08
IUPAC Name4-(7-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3-fluorobenzonitrile
SMILESN#Cc1ccc(-c2cc(N)cc3ncnn23)c(F)c1
InChIInChI=1S/C13H8FN5/c14-11-3-8(6-15)1-2-10(11)12-4-9(16)5-13-17-7-18-19(12)13/h1-5,7H,16H2
InChIKeyVNYPOTBWRCUJAW-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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Related Compounds

Decoglurant
CID 71533696
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 719986
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
Dsm-74
CID 25263414
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 777184
7-Amino-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819025
5,7-Diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2834454

Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3-fluorobenzonitrile?
The IUPAC name of 4-(7-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3-fluorobenzonitrile (CID 122540283) is 4-(7-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(7-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3-fluorobenzonitrile?
The canonical SMILES for 4-(7-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3-fluorobenzonitrile is N#Cc1ccc(-c2cc(N)cc3ncnn23)c(F)c1.
What is the InChIKey of 4-(7-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3-fluorobenzonitrile?
The InChIKey is VNYPOTBWRCUJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN5/c14-11-3-8(6-15)1-2-10(11)12-4-9(16)5-13-17-7-18-19(12)13/h1-5,7H,16H2.
What are the key properties of 4-(7-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3-fluorobenzonitrile?
4-(7-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3-fluorobenzonitrile 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-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3-fluorobenzonitrile is sourced from PubChem (CID 122540283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).