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

C17H28N4O — CID 97336283

IUPAC(8R)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCO[C@@H]1C[C@H](N[C@@H]2CCCn3ncnc32)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/t13-,14+,15-/m1/s1
InChIKeyFHHMGRHULPJISS-QLFBSQMISA-N
MW304.44 g/mol
LogP2.83
Rot. Bonds4

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

(8R)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 97336283) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (8R)-N-[(1S,3R)-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 Name(8R)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID97336283
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(8R)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCO[C@@H]1C[C@H](N[C@@H]2CCCn3ncnc32)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/t13-,14+,15-/m1/s1
InChIKeyFHHMGRHULPJISS-QLFBSQMISA-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

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

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Related Compounds

N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 75516194
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-propan-2-yloxan-4-amine
CID 64097507
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propyloxan-4-yl]methanamine
CID 64576658
8,8-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862648
3-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.4]octan-1-amine
CID 64864251
3-ethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]spiro[3.4]octan-1-amine
CID 64864647
3-ethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]spiro[3.5]nonan-1-amine
CID 65167496
3-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.5]nonan-1-amine
CID 65167770
3-ethoxy-2-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
CID 65167816
3-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)spiro[3.5]nonan-1-amine
CID 65168168
3-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.5]nonan-1-amine
CID 65169237
3-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]spiro[3.5]nonan-1-amine
CID 65169773

Frequently Asked Questions

What is the IUPAC name of (8R)-N-[(1S,3R)-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 (8R)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 97336283) is (8R)-N-[(1S,3R)-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 (8R)-N-[(1S,3R)-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 (8R)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is CCO[C@@H]1C[C@H](N[C@@H]2CCCn3ncnc32)C12CCCCC2.
What is the InChIKey of (8R)-N-[(1S,3R)-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-QLFBSQMISA-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/t13-,14+,15-/m1/s1.
What are the key properties of (8R)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
(8R)-N-[(1S,3R)-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 (8R)-N-[(1S,3R)-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 97336283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).