7-[(3-benzylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

C19H19N5 — CID 126679197

IUPAC7-[(3-benzylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cccc(Cc3ccccc3)c2)c2c(n1)NNN2
InChIInChI=1S/C19H19N5/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/h1-8,10,12,22,24H,9,11H2,(H3,20,21,23)
InChIKeyQARIFMRAQVWGNF-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.10
Rot. Bonds4

About 7-[(3-benzylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

7-[(3-benzylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126679197) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 7-[(3-benzylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(3-benzylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126679197
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name7-[(3-benzylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cccc(Cc3ccccc3)c2)c2c(n1)NNN2
InChIInChI=1S/C19H19N5/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/h1-8,10,12,22,24H,9,11H2,(H3,20,21,23)
InChIKeyQARIFMRAQVWGNF-UHFFFAOYSA-N
XLogP3.10
TPSA75.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702628
US10214527, Example 17
CID 126650314
7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162659225
US10214527, Example 14
CID 126678957
7-(1,3-diphenylpropyl)-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371646
US10214527, Example 16
CID 126679198
US10214527, Example 15
CID 126679205
US10214527, Example 38
CID 139268887
4-Phenyl-3-phenyldiazenylpyridine-2,6-diamine
CID 178312609
3-[(4-Benzylphenyl)diazenyl]pyridine-2,6-diamine
CID 178314709
(3-Phenethylquinoxalin-2-yl)hydrazine
CID 488816
7-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126677809

Frequently Asked Questions

What is the IUPAC name of 7-[(3-benzylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(3-benzylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (CID 126679197) is 7-[(3-benzylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(3-benzylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(3-benzylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2cccc(Cc3ccccc3)c2)c2c(n1)NNN2.
What is the InChIKey of 7-[(3-benzylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is QARIFMRAQVWGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/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/h1-8,10,12,22,24H,9,11H2,(H3,20,21,23).
What are the key properties of 7-[(3-benzylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
7-[(3-benzylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 317.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-benzylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126679197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).