7-[(3-chlorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine

C12H10ClN5 — CID 126677873

IUPAC7-[(3-chlorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cccc(Cl)c2)c2n[nH]nc2n1
InChIInChI=1S/C12H10ClN5/c13-9-3-1-2-7(5-9)4-8-6-10(14)15-12-11(8)16-18-17-12/h1-3,5-6H,4H2,(H3,14,15,16,17,18)
InChIKeyAUCPUCQOIPILNJ-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.18
Rot. Bonds2

About 7-[(3-chlorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(3-chlorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126677873) has the molecular formula C12H10ClN5 and a molecular weight of 259.70 g/mol. Its IUPAC name is 7-[(3-chlorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(3-chlorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126677873
Molecular FormulaC12H10ClN5
Molecular Weight259.70 g/mol
Exact Mass259.06
IUPAC Name7-[(3-chlorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cccc(Cl)c2)c2n[nH]nc2n1
InChIInChI=1S/C12H10ClN5/c13-9-3-1-2-7(5-9)4-8-6-10(14)15-12-11(8)16-18-17-12/h1-3,5-6H,4H2,(H3,14,15,16,17,18)
InChIKeyAUCPUCQOIPILNJ-UHFFFAOYSA-N
XLogP2.18
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-Chloro-1-phenyl-(1,2,4)triazolo(4,3-a)quinoxalin-4-amine
CID 124473
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-(2,3-Dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556507
5-Chloro-3-phenyl[1,2,3]triazolo[1,5-a]quinazoline
CID 10707928
3-Methyl-6-(m-chlorophenyl)-1,2,4-triazolo[4,3-b]pyridazine
CID 12726827
3-phenyl-N-(2-phenylethyl)triazolo[4,5-b]pyridin-5-amine
CID 57396964
3-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)aniline
CID 58857683
6-(3-Chlorophenyl)-3-(4-pyridyl)imidazo[1,2-b]pyridazine
CID 90670251
7-[(2,6-dichlorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118948999
US10214527, Example 17
CID 126650314

Frequently Asked Questions

What is the IUPAC name of 7-[(3-chlorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(3-chlorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126677873) is 7-[(3-chlorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(3-chlorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(3-chlorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2cccc(Cl)c2)c2n[nH]nc2n1.
What is the InChIKey of 7-[(3-chlorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is AUCPUCQOIPILNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5/c13-9-3-1-2-7(5-9)4-8-6-10(14)15-12-11(8)16-18-17-12/h1-3,5-6H,4H2,(H3,14,15,16,17,18).
What are the key properties of 7-[(3-chlorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(3-chlorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 259.70 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chlorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126677873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).