5-N-[2-(dimethylamino)ethyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine

C11H18N6O — CID 82555928

IUPAC5-N-[2-(dimethylamino)ethyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
SMILESCOc1ccc(NCCN(C)C)n2nc(N)nc12
InChIInChI=1S/C11H18N6O/c1-16(2)7-6-13-9-5-4-8(18-3)10-14-11(12)15-17(9)10/h4-5,13H,6-7H2,1-3H3,(H2,12,15)
InChIKeyQOLPNZZAOSUNII-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.29
Rot. Bonds5

About 5-N-[2-(dimethylamino)ethyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine

5-N-[2-(dimethylamino)ethyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine (PubChem CID 82555928) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 5-N-[2-(dimethylamino)ethyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[2-(dimethylamino)ethyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
PubChem CID82555928
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name5-N-[2-(dimethylamino)ethyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
SMILESCOc1ccc(NCCN(C)C)n2nc(N)nc12
InChIInChI=1S/C11H18N6O/c1-16(2)7-6-13-9-5-4-8(18-3)10-14-11(12)15-17(9)10/h4-5,13H,6-7H2,1-3H3,(H2,12,15)
InChIKeyQOLPNZZAOSUNII-UHFFFAOYSA-N
XLogP0.29
TPSA80.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(dimethylamino)ethyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
The IUPAC name of 5-N-[2-(dimethylamino)ethyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine (CID 82555928) is 5-N-[2-(dimethylamino)ethyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine.
What is the SMILES notation for 5-N-[2-(dimethylamino)ethyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
The canonical SMILES for 5-N-[2-(dimethylamino)ethyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine is COc1ccc(NCCN(C)C)n2nc(N)nc12.
What is the InChIKey of 5-N-[2-(dimethylamino)ethyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
The InChIKey is QOLPNZZAOSUNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-16(2)7-6-13-9-5-4-8(18-3)10-14-11(12)15-17(9)10/h4-5,13H,6-7H2,1-3H3,(H2,12,15).
What are the key properties of 5-N-[2-(dimethylamino)ethyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
5-N-[2-(dimethylamino)ethyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine has a molecular weight of 250.31 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(dimethylamino)ethyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine is sourced from PubChem (CID 82555928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).