3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]benzonitrile

C13H10N6 — CID 135341282

IUPAC3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]benzonitrile
SMILESN#Cc1cccc(Cc2cc(N)nc3n[nH]nc23)c1
InChIInChI=1S/C13H10N6/c14-7-9-3-1-2-8(4-9)5-10-6-11(15)16-13-12(10)17-19-18-13/h1-4,6H,5H2,(H3,15,16,17,18,19)
InChIKeyWUXAUJNGHXFEJP-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.40
Rot. Bonds2

About 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]benzonitrile

3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]benzonitrile (PubChem CID 135341282) has the molecular formula C13H10N6 and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]benzonitrile
PubChem CID135341282
Molecular FormulaC13H10N6
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Name3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]benzonitrile
SMILESN#Cc1cccc(Cc2cc(N)nc3n[nH]nc23)c1
InChIInChI=1S/C13H10N6/c14-7-9-3-1-2-8(4-9)5-10-6-11(15)16-13-12(10)17-19-18-13/h1-4,6H,5H2,(H3,15,16,17,18,19)
InChIKeyWUXAUJNGHXFEJP-UHFFFAOYSA-N
XLogP1.40
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

13-Amino-11-(4-methylphenyl)-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene-10,12-dicarbonitrile
CID 699043
Mpo-IN-4
CID 126650041
7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 130450939
7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702628
5-Amino-6-fluoro[1,2,3]triazolo[1,5-a]quinazoline-3-carbonitrile
CID 2804392
3-Methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 767452
4-Phenylamino-2,3-dihydro-1H-4a,9-diaza-cyclopenta[b]fluorene-10-carbonitrile
CID 743374
Tetrazolo[1,5-a]quinoline-4-carbonitrile
CID 2565899
N-(4-methylphenyl)-4-tetrazolo[1,5-a]quinoxalinamine
CID 16193211
3-phenyl-N-(2-phenylethyl)triazolo[4,5-b]pyridin-5-amine
CID 57396964
4-(2-Amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
CID 59186234
5-Phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67293171

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]benzonitrile?
The IUPAC name of 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]benzonitrile (CID 135341282) is 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]benzonitrile.
What is the SMILES notation for 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]benzonitrile?
The canonical SMILES for 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]benzonitrile is N#Cc1cccc(Cc2cc(N)nc3n[nH]nc23)c1.
What is the InChIKey of 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]benzonitrile?
The InChIKey is WUXAUJNGHXFEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6/c14-7-9-3-1-2-8(4-9)5-10-6-11(15)16-13-12(10)17-19-18-13/h1-4,6H,5H2,(H3,15,16,17,18,19).
What are the key properties of 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]benzonitrile?
3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]benzonitrile has a molecular weight of 250.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]benzonitrile is sourced from PubChem (CID 135341282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).