N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1H-indazol-7-amine

C15H20N4 — CID 66636779

IUPACN-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1H-indazol-7-amine
SMILESc1cc(NC[C@@H]2CN3CCC2CC3)c2[nH]ncc2c1
InChIInChI=1S/C15H20N4/c1-2-12-9-17-18-15(12)14(3-1)16-8-13-10-19-6-4-11(13)5-7-19/h1-3,9,11,13,16H,4-8,10H2,(H,17,18)/t13-/m1/s1
InChIKeyXKAXAWVHEFQBDG-CYBMUJFWSA-N
MW256.35 g/mol
LogP2.32
Rot. Bonds3

About N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1H-indazol-7-amine

N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1H-indazol-7-amine (PubChem CID 66636779) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1H-indazol-7-amine.

Molecular Properties

Compound NameN-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1H-indazol-7-amine
PubChem CID66636779
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1H-indazol-7-amine
SMILESc1cc(NC[C@@H]2CN3CCC2CC3)c2[nH]ncc2c1
InChIInChI=1S/C15H20N4/c1-2-12-9-17-18-15(12)14(3-1)16-8-13-10-19-6-4-11(13)5-7-19/h1-3,9,11,13,16H,4-8,10H2,(H,17,18)/t13-/m1/s1
InChIKeyXKAXAWVHEFQBDG-CYBMUJFWSA-N
XLogP2.32
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1H-indazol-7-amine?
The IUPAC name of N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1H-indazol-7-amine (CID 66636779) is N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1H-indazol-7-amine.
What is the SMILES notation for N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1H-indazol-7-amine?
The canonical SMILES for N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1H-indazol-7-amine is c1cc(NC[C@@H]2CN3CCC2CC3)c2[nH]ncc2c1.
What is the InChIKey of N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1H-indazol-7-amine?
The InChIKey is XKAXAWVHEFQBDG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-12-9-17-18-15(12)14(3-1)16-8-13-10-19-6-4-11(13)5-7-19/h1-3,9,11,13,16H,4-8,10H2,(H,17,18)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1H-indazol-7-amine?
N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1H-indazol-7-amine has a molecular weight of 256.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1H-indazol-7-amine is sourced from PubChem (CID 66636779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).