4-(3-amino-4-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol

C13H17N3O — CID 114247306

IUPAC4-(3-amino-4-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESNc1cnccc1N1CC2CC3CC2C1C3O
InChIInChI=1S/C13H17N3O/c14-10-5-15-2-1-11(10)16-6-8-3-7-4-9(8)12(16)13(7)17/h1-2,5,7-9,12-13,17H,3-4,6,14H2
InChIKeyVSOCXVGBPBBBOL-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.87
Rot. Bonds1

About 4-(3-amino-4-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol

4-(3-amino-4-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 114247306) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(3-amino-4-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name4-(3-amino-4-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID114247306
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-(3-amino-4-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESNc1cnccc1N1CC2CC3CC2C1C3O
InChIInChI=1S/C13H17N3O/c14-10-5-15-2-1-11(10)16-6-8-3-7-4-9(8)12(16)13(7)17/h1-2,5,7-9,12-13,17H,3-4,6,14H2
InChIKeyVSOCXVGBPBBBOL-UHFFFAOYSA-N
XLogP0.87
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-amino-4-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol with MolForge

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Related Compounds

1-(3-amino-4-pyridinyl)piperidin-2-ol
CID 130114597
1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol
CID 102955442
4-(5-bromo-4-methoxypyrimidin-2-yl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 114247622
4-pyrrol-1-ylpyridin-3-amine
CID 63062600
(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 136540380
4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine
CID 145199464
2-(3-amino-4-pyridinyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114391467
4-(azetidin-1-yl)pyridin-3-amine
CID 115011771
4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine
CID 79688892
7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091949
4-(2-ethylpiperidin-1-yl)pyridin-3-amine
CID 43266305
(2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 93173237

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of 4-(3-amino-4-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol (CID 114247306) is 4-(3-amino-4-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for 4-(3-amino-4-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for 4-(3-amino-4-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol is Nc1cnccc1N1CC2CC3CC2C1C3O.
What is the InChIKey of 4-(3-amino-4-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is VSOCXVGBPBBBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-10-5-15-2-1-11(10)16-6-8-3-7-4-9(8)12(16)13(7)17/h1-2,5,7-9,12-13,17H,3-4,6,14H2.
What are the key properties of 4-(3-amino-4-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
4-(3-amino-4-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol has a molecular weight of 231.30 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-pyridinyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 114247306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).