N-(3-azabicyclo[3.1.0]hexan-6-yl)cinnolin-4-amine

C13H14N4 — CID 55213192

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)cinnolin-4-amine
SMILESc1ccc2c(NC3C4CNCC43)cnnc2c1
InChIInChI=1S/C13H14N4/c1-2-4-11-8(3-1)12(7-15-17-11)16-13-9-5-14-6-10(9)13/h1-4,7,9-10,13-14H,5-6H2,(H,16,17)
InChIKeyHVOBRFIZUYOSIH-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.26
Rot. Bonds2

About N-(3-azabicyclo[3.1.0]hexan-6-yl)cinnolin-4-amine

N-(3-azabicyclo[3.1.0]hexan-6-yl)cinnolin-4-amine (PubChem CID 55213192) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)cinnolin-4-amine.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)cinnolin-4-amine
PubChem CID55213192
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)cinnolin-4-amine
SMILESc1ccc2c(NC3C4CNCC43)cnnc2c1
InChIInChI=1S/C13H14N4/c1-2-4-11-8(3-1)12(7-15-17-11)16-13-9-5-14-6-10(9)13/h1-4,7,9-10,13-14H,5-6H2,(H,16,17)
InChIKeyHVOBRFIZUYOSIH-UHFFFAOYSA-N
XLogP1.26
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)cinnolin-4-amine?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)cinnolin-4-amine (CID 55213192) is N-(3-azabicyclo[3.1.0]hexan-6-yl)cinnolin-4-amine.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)cinnolin-4-amine?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)cinnolin-4-amine is c1ccc2c(NC3C4CNCC43)cnnc2c1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)cinnolin-4-amine?
The InChIKey is HVOBRFIZUYOSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-2-4-11-8(3-1)12(7-15-17-11)16-13-9-5-14-6-10(9)13/h1-4,7,9-10,13-14H,5-6H2,(H,16,17).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)cinnolin-4-amine?
N-(3-azabicyclo[3.1.0]hexan-6-yl)cinnolin-4-amine has a molecular weight of 226.28 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)cinnolin-4-amine is sourced from PubChem (CID 55213192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).