N-(7-azabicyclo[2.2.1]heptan-2-yl)-1H-indazol-5-amine

C13H16N4 — CID 67234945

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-1H-indazol-5-amine
SMILESc1cc2[nH]ncc2cc1NC1CC2CCC1N2
InChIInChI=1S/C13H16N4/c1-3-11-8(7-14-17-11)5-9(1)16-13-6-10-2-4-12(13)15-10/h1,3,5,7,10,12-13,15-16H,2,4,6H2,(H,14,17)
InChIKeyLLHAEGLMUHKUSX-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.87
Rot. Bonds2

About N-(7-azabicyclo[2.2.1]heptan-2-yl)-1H-indazol-5-amine

N-(7-azabicyclo[2.2.1]heptan-2-yl)-1H-indazol-5-amine (PubChem CID 67234945) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-1H-indazol-5-amine
PubChem CID67234945
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-1H-indazol-5-amine
SMILESc1cc2[nH]ncc2cc1NC1CC2CCC1N2
InChIInChI=1S/C13H16N4/c1-3-11-8(7-14-17-11)5-9(1)16-13-6-10-2-4-12(13)15-10/h1,3,5,7,10,12-13,15-16H,2,4,6H2,(H,14,17)
InChIKeyLLHAEGLMUHKUSX-UHFFFAOYSA-N
XLogP1.87
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-1H-indazol-5-amine?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-1H-indazol-5-amine (CID 67234945) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-1H-indazol-5-amine.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-1H-indazol-5-amine?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-1H-indazol-5-amine is c1cc2[nH]ncc2cc1NC1CC2CCC1N2.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-1H-indazol-5-amine?
The InChIKey is LLHAEGLMUHKUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-11-8(7-14-17-11)5-9(1)16-13-6-10-2-4-12(13)15-10/h1,3,5,7,10,12-13,15-16H,2,4,6H2,(H,14,17).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-1H-indazol-5-amine?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-1H-indazol-5-amine has a molecular weight of 228.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-1H-indazol-5-amine is sourced from PubChem (CID 67234945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).