2-N-(2-morpholin-4-ylethyl)-8-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine

C18H23N7O — CID 59612331

IUPAC2-N-(2-morpholin-4-ylethyl)-8-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
SMILESc1cncc(CNc2cccn3nc(NCCN4CCOCC4)nc23)c1
InChIInChI=1S/C18H23N7O/c1-3-15(13-19-5-1)14-21-16-4-2-7-25-17(16)22-18(23-25)20-6-8-24-9-11-26-12-10-24/h1-5,7,13,21H,6,8-12,14H2,(H,20,23)
InChIKeyNFHZZZIHNYDXTD-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.48
Rot. Bonds7

About 2-N-(2-morpholin-4-ylethyl)-8-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine

2-N-(2-morpholin-4-ylethyl)-8-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine (PubChem CID 59612331) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-N-(2-morpholin-4-ylethyl)-8-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine.

Molecular Properties

Compound Name2-N-(2-morpholin-4-ylethyl)-8-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
PubChem CID59612331
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name2-N-(2-morpholin-4-ylethyl)-8-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
SMILESc1cncc(CNc2cccn3nc(NCCN4CCOCC4)nc23)c1
InChIInChI=1S/C18H23N7O/c1-3-15(13-19-5-1)14-21-16-4-2-7-25-17(16)22-18(23-25)20-6-8-24-9-11-26-12-10-24/h1-5,7,13,21H,6,8-12,14H2,(H,20,23)
InChIKeyNFHZZZIHNYDXTD-UHFFFAOYSA-N
XLogP1.48
TPSA79.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-morpholin-4-ylethyl)-8-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The IUPAC name of 2-N-(2-morpholin-4-ylethyl)-8-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine (CID 59612331) is 2-N-(2-morpholin-4-ylethyl)-8-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine.
What is the SMILES notation for 2-N-(2-morpholin-4-ylethyl)-8-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The canonical SMILES for 2-N-(2-morpholin-4-ylethyl)-8-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine is c1cncc(CNc2cccn3nc(NCCN4CCOCC4)nc23)c1.
What is the InChIKey of 2-N-(2-morpholin-4-ylethyl)-8-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The InChIKey is NFHZZZIHNYDXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-3-15(13-19-5-1)14-21-16-4-2-7-25-17(16)22-18(23-25)20-6-8-24-9-11-26-12-10-24/h1-5,7,13,21H,6,8-12,14H2,(H,20,23).
What are the key properties of 2-N-(2-morpholin-4-ylethyl)-8-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
2-N-(2-morpholin-4-ylethyl)-8-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine has a molecular weight of 353.43 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-morpholin-4-ylethyl)-8-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine is sourced from PubChem (CID 59612331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).