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

C19H17N5 — CID 126679205

IUPAC7-[[3-(4-methylphenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1ccc(-c2cccc(Cc3cc(N)nc4n[nH]nc34)c2)cc1
InChIInChI=1S/C19H17N5/c1-12-5-7-14(8-6-12)15-4-2-3-13(9-15)10-16-11-17(20)21-19-18(16)22-24-23-19/h2-9,11H,10H2,1H3,(H3,20,21,22,23,24)
InChIKeyXLMAPTIAIUGYRY-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.50
Rot. Bonds3

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

7-[[3-(4-methylphenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126679205) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 7-[[3-(4-methylphenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[3-(4-methylphenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126679205
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name7-[[3-(4-methylphenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1ccc(-c2cccc(Cc3cc(N)nc4n[nH]nc34)c2)cc1
InChIInChI=1S/C19H17N5/c1-12-5-7-14(8-6-12)15-4-2-3-13(9-15)10-16-11-17(20)21-19-18(16)22-24-23-19/h2-9,11H,10H2,1H3,(H3,20,21,22,23,24)
InChIKeyXLMAPTIAIUGYRY-UHFFFAOYSA-N
XLogP3.50
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

L-158809
CID 183134
FK-739 free acid
CID 9801627
2-Ethyl-5,7-dimethyl-3-[9-(1H-tetrazol-5-ylmethyl)-9H-fluoren-2-ylmethyl]-3H-imidazo[4,5-b]pyridine
CID 44373246
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
5,7-diphenyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine
CID 16109428
2,6-Diphenyl-8-(1-ethylpropyl)-1-deazapurine
CID 16109429
2-cyclopentyl-5,7-diphenyl-1H-imidazo[4,5-b]pyridine
CID 16109430
2-cyclohexyl-5,7-di(phenyl)-1H-imidazo[4,5-b]pyridine
CID 16109435
2-(2-methylpropyl)-5,7-diphenyl-1H-imidazo[4,5-b]pyridine
CID 44418996
7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 145371765
7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702630
2-butyl-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole
CID 4286584

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(4-methylphenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[3-(4-methylphenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126679205) is 7-[[3-(4-methylphenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[3-(4-methylphenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[3-(4-methylphenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Cc1ccc(-c2cccc(Cc3cc(N)nc4n[nH]nc34)c2)cc1.
What is the InChIKey of 7-[[3-(4-methylphenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is XLMAPTIAIUGYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-12-5-7-14(8-6-12)15-4-2-3-13(9-15)10-16-11-17(20)21-19-18(16)22-24-23-19/h2-9,11H,10H2,1H3,(H3,20,21,22,23,24).
What are the key properties of 7-[[3-(4-methylphenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[3-(4-methylphenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 315.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(4-methylphenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126679205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).