N-(3-ethoxyspiro[3.5]nonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C17H28N4O — CID 75472038

IUPACN-(3-ethoxyspiro[3.5]nonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCOC1CC(NC2CCCn3ncnc32)C12CCCCC2
InChIInChI=1S/C17H28N4O/c1-2-22-15-11-14(17(15)8-4-3-5-9-17)20-13-7-6-10-21-16(13)18-12-19-21/h12-15,20H,2-11H2,1H3
InChIKeyFHHMGRHULPJISS-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.83
Rot. Bonds4

About N-(3-ethoxyspiro[3.5]nonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

N-(3-ethoxyspiro[3.5]nonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 75472038) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.5]nonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.5]nonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID75472038
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-(3-ethoxyspiro[3.5]nonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCOC1CC(NC2CCCn3ncnc32)C12CCCCC2
InChIInChI=1S/C17H28N4O/c1-2-22-15-11-14(17(15)8-4-3-5-9-17)20-13-7-6-10-21-16(13)18-12-19-21/h12-15,20H,2-11H2,1H3
InChIKeyFHHMGRHULPJISS-UHFFFAOYSA-N
XLogP2.83
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.5]nonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of N-(3-ethoxyspiro[3.5]nonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 75472038) is N-(3-ethoxyspiro[3.5]nonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.5]nonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.5]nonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is CCOC1CC(NC2CCCn3ncnc32)C12CCCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.5]nonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is FHHMGRHULPJISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-2-22-15-11-14(17(15)8-4-3-5-9-17)20-13-7-6-10-21-16(13)18-12-19-21/h12-15,20H,2-11H2,1H3.
What are the key properties of N-(3-ethoxyspiro[3.5]nonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
N-(3-ethoxyspiro[3.5]nonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 304.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.5]nonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 75472038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).