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

C14H13N5O2 — CID 82557691

IUPAC2-amino-8-(4-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESN#Cc1ccc(C2CCC(C(=O)O)n3nc(N)nc32)cc1
InChIInChI=1S/C14H13N5O2/c15-7-8-1-3-9(4-2-8)10-5-6-11(13(20)21)19-12(10)17-14(16)18-19/h1-4,10-11H,5-6H2,(H2,16,18)(H,20,21)
InChIKeyHASZLOPUUSIMSE-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.28
Rot. Bonds2

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

2-amino-8-(4-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 82557691) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-amino-8-(4-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-8-(4-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID82557691
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-amino-8-(4-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESN#Cc1ccc(C2CCC(C(=O)O)n3nc(N)nc32)cc1
InChIInChI=1S/C14H13N5O2/c15-7-8-1-3-9(4-2-8)10-5-6-11(13(20)21)19-12(10)17-14(16)18-19/h1-4,10-11H,5-6H2,(H2,16,18)(H,20,21)
InChIKeyHASZLOPUUSIMSE-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-amino-8-(3-carboxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82557710
8-phenyl-5-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 140899830
(2S)-1-[(4-cyanophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 57257451
2-amino-6-(3-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82557506
1-(4-cyanophenyl)azocane-2-carboxylic acid
CID 114239766
(2S,4R)-1-(4-cyanophenyl)sulfonyl-4-fluoropyrrolidine-2-carboxylic acid
CID 118008304
1-[(4-cyanophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 19957318
1-(4-cyanophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 75110467
(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 30078852
4-[2-cyano-1-(3,5-diamino-1,2,4-triazol-1-yl)-3-oxobutyl]benzonitrile
CID 66627972
1-[2-[(4-cyanophenyl)methylsulfanyl]acetyl]pyrrolidine-2-carboxylic acid
CID 84556784
4-[(1R,2R,3S,4S)-2-(4-cyanophenyl)-3,4-dipyridin-4-ylcyclobutyl]benzonitrile
CID 102059489

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(4-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-amino-8-(4-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 82557691) is 2-amino-8-(4-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-amino-8-(4-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-amino-8-(4-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is N#Cc1ccc(C2CCC(C(=O)O)n3nc(N)nc32)cc1.
What is the InChIKey of 2-amino-8-(4-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is HASZLOPUUSIMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-7-8-1-3-9(4-2-8)10-5-6-11(13(20)21)19-12(10)17-14(16)18-19/h1-4,10-11H,5-6H2,(H2,16,18)(H,20,21).
What are the key properties of 2-amino-8-(4-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-amino-8-(4-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(4-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 82557691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).