[4-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenyl]methanol

C20H19N5O — CID 130431991

IUPAC[4-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenyl]methanol
SMILESNc1cc(C(Cc2ccc(CO)cc2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C20H19N5O/c21-18-11-17(19-20(22-18)24-25-23-19)16(15-4-2-1-3-5-15)10-13-6-8-14(12-26)9-7-13/h1-9,11,16,26H,10,12H2,(H3,21,22,23,24,25)
InChIKeyGCHSIOSYJAGHQB-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.80
Rot. Bonds5

About [4-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenyl]methanol

[4-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenyl]methanol (PubChem CID 130431991) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is [4-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenyl]methanol
PubChem CID130431991
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name[4-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenyl]methanol
SMILESNc1cc(C(Cc2ccc(CO)cc2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C20H19N5O/c21-18-11-17(19-20(22-18)24-25-23-19)16(15-4-2-1-3-5-15)10-13-6-8-14(12-26)9-7-13/h1-9,11,16,26H,10,12H2,(H3,21,22,23,24,25)
InChIKeyGCHSIOSYJAGHQB-UHFFFAOYSA-N
XLogP2.80
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.80
H-Bond Donors ≤ 53
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
[4-(6-Phenylimidazo [1,2-b]pyridazin-3-yl)phenyl] methanol
CID 126672911
[4-[6-(4-Fluorophenyl) imidazo[1,2-3]pyridazin-3-yl]phenyl] methanol
CID 135316116
4-[4-Amino-5-[4-(hydroxymethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]butan-1-ol
CID 71187424
2,2-difluoro-2-(2-propylbenzimidazol-1-yl)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol
CID 10742620
[4-[4-(Pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol
CID 118711860
[4-[6-[(3-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 122179543
[4-[4-Amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol
CID 155527495
7-[(1R)-1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162643421
7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162659225
7-[(1R)-1-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162670874

Frequently Asked Questions

What is the IUPAC name of [4-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenyl]methanol?
The IUPAC name of [4-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenyl]methanol (CID 130431991) is [4-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenyl]methanol.
What is the SMILES notation for [4-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenyl]methanol?
The canonical SMILES for [4-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenyl]methanol is Nc1cc(C(Cc2ccc(CO)cc2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of [4-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenyl]methanol?
The InChIKey is GCHSIOSYJAGHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c21-18-11-17(19-20(22-18)24-25-23-19)16(15-4-2-1-3-5-15)10-13-6-8-14(12-26)9-7-13/h1-9,11,16,26H,10,12H2,(H3,21,22,23,24,25).
What are the key properties of [4-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenyl]methanol?
[4-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenyl]methanol has a molecular weight of 345.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenyl]methanol is sourced from PubChem (CID 130431991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).