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

C16H19N5 — CID 139268886

IUPAC7-[(4-tert-butylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC(C)(C)c1ccc(Cc2cc(N)nc3n[nH]nc23)cc1
InChIInChI=1S/C16H19N5/c1-16(2,3)12-6-4-10(5-7-12)8-11-9-13(17)18-15-14(11)19-21-20-15/h4-7,9H,8H2,1-3H3,(H3,17,18,19,20,21)
InChIKeyNMLMBCTZCQFFCW-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.82
Rot. Bonds2

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

7-[(4-tert-butylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 139268886) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 7-[(4-tert-butylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(4-tert-butylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID139268886
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name7-[(4-tert-butylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC(C)(C)c1ccc(Cc2cc(N)nc3n[nH]nc23)cc1
InChIInChI=1S/C16H19N5/c1-16(2,3)12-6-4-10(5-7-12)8-11-9-13(17)18-15-14(11)19-21-20-15/h4-7,9H,8H2,1-3H3,(H3,17,18,19,20,21)
InChIKeyNMLMBCTZCQFFCW-UHFFFAOYSA-N
XLogP2.82
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

L-158809
CID 183134
FK-739 free acid
CID 9801627
Zln005
CID 899323
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
2,6-Diphenyl-8-methyl-1-deazapurine
CID 16109426

Frequently Asked Questions

What is the IUPAC name of 7-[(4-tert-butylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(4-tert-butylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 139268886) is 7-[(4-tert-butylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(4-tert-butylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(4-tert-butylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine is CC(C)(C)c1ccc(Cc2cc(N)nc3n[nH]nc23)cc1.
What is the InChIKey of 7-[(4-tert-butylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is NMLMBCTZCQFFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-16(2,3)12-6-4-10(5-7-12)8-11-9-13(17)18-15-14(11)19-21-20-15/h4-7,9H,8H2,1-3H3,(H3,17,18,19,20,21).
What are the key properties of 7-[(4-tert-butylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(4-tert-butylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 281.36 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-tert-butylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 139268886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).