7-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine

C24H25N5O2 — CID 130450773

IUPAC7-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCC2(Cc3ccccc3)OCCO2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C24H25N5O2/c25-21-15-20(22-23(26-21)28-29-27-22)19(18-9-5-2-6-10-18)11-12-24(30-13-14-31-24)16-17-7-3-1-4-8-17/h1-10,15,19H,11-14,16H2,(H3,25,26,27,28,29)
InChIKeyNOOQGPJXVPMHPC-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.83
Rot. Bonds7

About 7-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130450773) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 7-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130450773
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name7-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCC2(Cc3ccccc3)OCCO2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C24H25N5O2/c25-21-15-20(22-23(26-21)28-29-27-22)19(18-9-5-2-6-10-18)11-12-24(30-13-14-31-24)16-17-7-3-1-4-8-17/h1-10,15,19H,11-14,16H2,(H3,25,26,27,28,29)
InChIKeyNOOQGPJXVPMHPC-UHFFFAOYSA-N
XLogP3.83
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130450773) is 7-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C(CCC2(Cc3ccccc3)OCCO2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is NOOQGPJXVPMHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c25-21-15-20(22-23(26-21)28-29-27-22)19(18-9-5-2-6-10-18)11-12-24(30-13-14-31-24)16-17-7-3-1-4-8-17/h1-10,15,19H,11-14,16H2,(H3,25,26,27,28,29).
What are the key properties of 7-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 415.50 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130450773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).