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

C18H30N4O — CID 75516211

IUPACN-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCOC1CC(NC2CCCn3nc(C)nc32)C12CCCCC2
InChIInChI=1S/C18H30N4O/c1-3-23-16-12-15(18(16)9-5-4-6-10-18)20-14-8-7-11-22-17(14)19-13(2)21-22/h14-16,20H,3-12H2,1-2H3
InChIKeyRCCZIPMICSYKBH-UHFFFAOYSA-N
MW318.47 g/mol
LogP3.14
Rot. Bonds4

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

N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 75516211) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyl-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)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID75516211
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCOC1CC(NC2CCCn3nc(C)nc32)C12CCCCC2
InChIInChI=1S/C18H30N4O/c1-3-23-16-12-15(18(16)9-5-4-6-10-18)20-14-8-7-11-22-17(14)19-13(2)21-22/h14-16,20H,3-12H2,1-2H3
InChIKeyRCCZIPMICSYKBH-UHFFFAOYSA-N
XLogP3.14
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.14
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)-2-methyl-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)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 75516211) is N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyl-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)-2-methyl-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)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is CCOC1CC(NC2CCCn3nc(C)nc32)C12CCCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is RCCZIPMICSYKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-3-23-16-12-15(18(16)9-5-4-6-10-18)20-14-8-7-11-22-17(14)19-13(2)21-22/h14-16,20H,3-12H2,1-2H3.
What are the key properties of N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 318.47 g/mol, XLogP of 3.14, 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)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 75516211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).