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

C13H12Cl2N4O2 — CID 82557571

IUPAC2-amino-6-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESNc1nc2n(n1)CC(c1ccc(Cl)c(Cl)c1)C(C(=O)O)C2
InChIInChI=1S/C13H12Cl2N4O2/c14-9-2-1-6(3-10(9)15)8-5-19-11(17-13(16)18-19)4-7(8)12(20)21/h1-3,7-8H,4-5H2,(H2,16,18)(H,20,21)
InChIKeyZMQOAAWYFAVLFL-UHFFFAOYSA-N
MW327.17 g/mol
LogP2.21
Rot. Bonds2

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

2-amino-6-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 82557571) has the molecular formula C13H12Cl2N4O2 and a molecular weight of 327.17 g/mol. Its IUPAC name is 2-amino-6-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
PubChem CID82557571
Molecular FormulaC13H12Cl2N4O2
Molecular Weight327.17 g/mol
Exact Mass326.03
IUPAC Name2-amino-6-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESNc1nc2n(n1)CC(c1ccc(Cl)c(Cl)c1)C(C(=O)O)C2
InChIInChI=1S/C13H12Cl2N4O2/c14-9-2-1-6(3-10(9)15)8-5-19-11(17-13(16)18-19)4-7(8)12(20)21/h1-3,7-8H,4-5H2,(H2,16,18)(H,20,21)
InChIKeyZMQOAAWYFAVLFL-UHFFFAOYSA-N
XLogP2.21
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82557558
6-(3-chloro-4-methoxyphenyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557364
4-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoic acid
CID 82557377
(3R,4R)-4-(3,4-dichlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 51441169
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
(3S,4S)-1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951480
(2R,3S)-2-(3,4-dichlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 94772115
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 120747860
(3R,4S)-1-benzyl-4-(3,4-dichlorophenyl)-2-methylpyrrolidine-3-carboxylic acid
CID 67232869
[(3R)-3-aminopiperidin-1-yl]-[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 124623000
[(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 124623002

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-amino-6-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (CID 82557571) is 2-amino-6-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-amino-6-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-amino-6-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is Nc1nc2n(n1)CC(c1ccc(Cl)c(Cl)c1)C(C(=O)O)C2.
What is the InChIKey of 2-amino-6-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is ZMQOAAWYFAVLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O2/c14-9-2-1-6(3-10(9)15)8-5-19-11(17-13(16)18-19)4-7(8)12(20)21/h1-3,7-8H,4-5H2,(H2,16,18)(H,20,21).
What are the key properties of 2-amino-6-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
2-amino-6-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 327.17 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 82557571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).