2-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,7-diamine

C10H16N8O — CID 139811160

IUPAC2-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,7-diamine
SMILESNc1ncnc2nc(NCCN3CCOCC3)nn12
InChIInChI=1S/C10H16N8O/c11-8-13-7-14-10-15-9(16-18(8)10)12-1-2-17-3-5-19-6-4-17/h7H,1-6H2,(H3,11,12,13,14,15,16)
InChIKeyZYBATLHKKCZDGY-UHFFFAOYSA-N
MW264.29 g/mol
LogP-1.15
Rot. Bonds4

About 2-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,7-diamine

2-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,7-diamine (PubChem CID 139811160) has the molecular formula C10H16N8O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,7-diamine.

Molecular Properties

Compound Name2-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,7-diamine
PubChem CID139811160
Molecular FormulaC10H16N8O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name2-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,7-diamine
SMILESNc1ncnc2nc(NCCN3CCOCC3)nn12
InChIInChI=1S/C10H16N8O/c11-8-13-7-14-10-15-9(16-18(8)10)12-1-2-17-3-5-19-6-4-17/h7H,1-6H2,(H3,11,12,13,14,15,16)
InChIKeyZYBATLHKKCZDGY-UHFFFAOYSA-N
XLogP-1.15
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,7-diamine?
The IUPAC name of 2-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,7-diamine (CID 139811160) is 2-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,7-diamine.
What is the SMILES notation for 2-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,7-diamine?
The canonical SMILES for 2-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,7-diamine is Nc1ncnc2nc(NCCN3CCOCC3)nn12.
What is the InChIKey of 2-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,7-diamine?
The InChIKey is ZYBATLHKKCZDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N8O/c11-8-13-7-14-10-15-9(16-18(8)10)12-1-2-17-3-5-19-6-4-17/h7H,1-6H2,(H3,11,12,13,14,15,16).
What are the key properties of 2-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,7-diamine?
2-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,7-diamine has a molecular weight of 264.29 g/mol, XLogP of -1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,7-diamine is sourced from PubChem (CID 139811160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).