7-[(1R)-1,2-diphenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine

C19H17N5 — CID 154702628

IUPAC7-[(1R)-1,2-diphenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc([C@H](Cc2ccccc2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C19H17N5/c20-17-12-16(18-19(21-17)23-24-22-18)15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,12,15H,11H2,(H3,20,21,22,23,24)/t15-/m1/s1
InChIKeyPCFOKFFOSYNQNP-OAHLLOKOSA-N
MW315.38 g/mol
LogP3.31
Rot. Bonds4

About 7-[(1R)-1,2-diphenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(1R)-1,2-diphenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 154702628) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 7-[(1R)-1,2-diphenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(1R)-1,2-diphenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID154702628
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name7-[(1R)-1,2-diphenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc([C@H](Cc2ccccc2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C19H17N5/c20-17-12-16(18-19(21-17)23-24-22-18)15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,12,15H,11H2,(H3,20,21,22,23,24)/t15-/m1/s1
InChIKeyPCFOKFFOSYNQNP-OAHLLOKOSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-1,2-diphenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(1R)-1,2-diphenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 154702628) is 7-[(1R)-1,2-diphenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(1R)-1,2-diphenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(1R)-1,2-diphenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc([C@H](Cc2ccccc2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[(1R)-1,2-diphenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is PCFOKFFOSYNQNP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17N5/c20-17-12-16(18-19(21-17)23-24-22-18)15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,12,15H,11H2,(H3,20,21,22,23,24)/t15-/m1/s1.
What are the key properties of 7-[(1R)-1,2-diphenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(1R)-1,2-diphenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 315.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-1,2-diphenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 154702628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).