2-amino-6-(3-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

C14H13N5O2 — CID 82557506

IUPAC2-amino-6-(3-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESN#Cc1cccc(C2CC(C(=O)O)c3nc(N)nn3C2)c1
InChIInChI=1S/C14H13N5O2/c15-6-8-2-1-3-9(4-8)10-5-11(13(20)21)12-17-14(16)18-19(12)7-10/h1-4,10-11H,5,7H2,(H2,16,18)(H,20,21)
InChIKeySPEWOLJGJCGVPL-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.09
Rot. Bonds2

About 2-amino-6-(3-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

2-amino-6-(3-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 82557506) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-amino-6-(3-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(3-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID82557506
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-amino-6-(3-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESN#Cc1cccc(C2CC(C(=O)O)c3nc(N)nn3C2)c1
InChIInChI=1S/C14H13N5O2/c15-6-8-2-1-3-9(4-8)10-5-11(13(20)21)12-17-14(16)18-19(12)7-10/h1-4,10-11H,5,7H2,(H2,16,18)(H,20,21)
InChIKeySPEWOLJGJCGVPL-UHFFFAOYSA-N
XLogP1.09
TPSA117.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-(3-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid with MolForge

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Related Compounds

3-(2-amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol
CID 82557260
2-amino-8-(4-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82557691
3-[(1R)-3-oxocyclopentyl]benzonitrile
CID 162342996
(3R,4S)-1-benzyl-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid
CID 46839570
(3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 30121276
8-methyl-6-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557247
3-(thian-4-yl)benzonitrile
CID 117292000
4-(3-cyanophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 53398338
5-(3-cyanophenyl)-1,1-dioxo-1,4-thiazinane-3-carboxylic acid
CID 65170972
3-[2-(imidazole-1-carbonyl)-3,4-dihydropyrazol-3-yl]benzonitrile
CID 166747287
3-[(2R)-4-(3-pyrimidin-4-ylpropanoyl)morpholin-2-yl]benzonitrile
CID 124741802
3-[(2S)-4-(3-pyrimidin-4-ylpropanoyl)morpholin-2-yl]benzonitrile
CID 124741803

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-amino-6-(3-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 82557506) is 2-amino-6-(3-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-amino-6-(3-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-amino-6-(3-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is N#Cc1cccc(C2CC(C(=O)O)c3nc(N)nn3C2)c1.
What is the InChIKey of 2-amino-6-(3-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is SPEWOLJGJCGVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-6-8-2-1-3-9(4-8)10-5-11(13(20)21)12-17-14(16)18-19(12)7-10/h1-4,10-11H,5,7H2,(H2,16,18)(H,20,21).
What are the key properties of 2-amino-6-(3-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-amino-6-(3-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 82557506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).