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

C19H17N5 — CID 126679198

IUPAC7-[(3-benzylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cccc(Cc3ccccc3)c2)c2n[nH]nc2n1
InChIInChI=1S/C19H17N5/c20-17-12-16(18-19(21-17)23-24-22-18)11-15-8-4-7-14(10-15)9-13-5-2-1-3-6-13/h1-8,10,12H,9,11H2,(H3,20,21,22,23,24)
InChIKeyQAYFAZVYHUBONM-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.12
Rot. Bonds4

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

7-[(3-benzylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126679198) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 7-[(3-benzylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(3-benzylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126679198
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name7-[(3-benzylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cccc(Cc3ccccc3)c2)c2n[nH]nc2n1
InChIInChI=1S/C19H17N5/c20-17-12-16(18-19(21-17)23-24-22-18)11-15-8-4-7-14(10-15)9-13-5-2-1-3-6-13/h1-8,10,12H,9,11H2,(H3,20,21,22,23,24)
InChIKeyQAYFAZVYHUBONM-UHFFFAOYSA-N
XLogP3.12
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

L-158809
CID 183134
2-Ethyl-5,7-dimethyl-3-[9-(1H-tetrazol-5-ylmethyl)-9H-fluoren-2-ylmethyl]-3H-imidazo[4,5-b]pyridine
CID 44373246
8-isopropyl-2,6-diphenyl-9H-purine
CID 11536936
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
8-propyl-2,6-diphenyl-9H-purine
CID 11565892
2,6-Diphenyl-8-methyl-1-deazapurine
CID 16109426

Frequently Asked Questions

What is the IUPAC name of 7-[(3-benzylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(3-benzylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126679198) is 7-[(3-benzylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(3-benzylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(3-benzylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2cccc(Cc3ccccc3)c2)c2n[nH]nc2n1.
What is the InChIKey of 7-[(3-benzylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is QAYFAZVYHUBONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c20-17-12-16(18-19(21-17)23-24-22-18)11-15-8-4-7-14(10-15)9-13-5-2-1-3-6-13/h1-8,10,12H,9,11H2,(H3,20,21,22,23,24).
What are the key properties of 7-[(3-benzylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(3-benzylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 315.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-benzylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126679198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).