7-[1-(3-methoxyphenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine

C20H19N5O — CID 130432010

IUPAC7-[1-(3-methoxyphenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCOc1cccc(C(Cc2ccccc2)c2cc(N)nc3n[nH]nc23)c1
InChIInChI=1S/C20H19N5O/c1-26-15-9-5-8-14(11-15)16(10-13-6-3-2-4-7-13)17-12-18(21)22-20-19(17)23-25-24-20/h2-9,11-12,16H,10H2,1H3,(H3,21,22,23,24,25)
InChIKeySWBQZMPOXOLVQS-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.32
Rot. Bonds5

About 7-[1-(3-methoxyphenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[1-(3-methoxyphenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130432010) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 7-[1-(3-methoxyphenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[1-(3-methoxyphenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130432010
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name7-[1-(3-methoxyphenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCOc1cccc(C(Cc2ccccc2)c2cc(N)nc3n[nH]nc23)c1
InChIInChI=1S/C20H19N5O/c1-26-15-9-5-8-14(11-15)16(10-13-6-3-2-4-7-13)17-12-18(21)22-20-19(17)23-25-24-20/h2-9,11-12,16H,10H2,1H3,(H3,21,22,23,24,25)
InChIKeySWBQZMPOXOLVQS-UHFFFAOYSA-N
XLogP3.32
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[1-(2-fluorophenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130431877
(2R)-6-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-6-phenyl-2-(3-phenylpropyl)hexan-1-ol
CID 158235254
7-[2-(2-chlorophenyl)-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine;ethane;7-[1-(3-fluorophenyl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371916
7-[1-phenyl-2-(6-phenyl-1,3-benzothiazol-2-yl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099358
methyl 2-(3-methoxyphenyl)-3-phenylpropanoate
CID 21257567
N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 60799452
methane;6-[1-(4-methoxyphenyl)-2-phenylethyl]pyridin-2-amine
CID 143272438
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
2-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]-7-phenyl-3H-benzimidazole-5-carbonitrile
CID 155099335
7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 158757852
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
5-benzylsulfanyl-2H-triazolo[4,5-d]pyrimidin-7-amine
CID 50993061

Frequently Asked Questions

What is the IUPAC name of 7-[1-(3-methoxyphenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[1-(3-methoxyphenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130432010) is 7-[1-(3-methoxyphenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[1-(3-methoxyphenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[1-(3-methoxyphenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine is COc1cccc(C(Cc2ccccc2)c2cc(N)nc3n[nH]nc23)c1.
What is the InChIKey of 7-[1-(3-methoxyphenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is SWBQZMPOXOLVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-26-15-9-5-8-14(11-15)16(10-13-6-3-2-4-7-13)17-12-18(21)22-20-19(17)23-25-24-20/h2-9,11-12,16H,10H2,1H3,(H3,21,22,23,24,25).
What are the key properties of 7-[1-(3-methoxyphenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[1-(3-methoxyphenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 345.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(3-methoxyphenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130432010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).