N-(5,6-dimethylpyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine

C11H16N4 — CID 114476406

IUPACN-(5,6-dimethylpyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCc1ncc(NC2C3CNCC32)nc1C
InChIInChI=1S/C11H16N4/c1-6-7(2)14-10(5-13-6)15-11-8-3-12-4-9(8)11/h5,8-9,11-12H,3-4H2,1-2H3,(H,14,15)
InChIKeyVEZLJWFNCXLYKB-UHFFFAOYSA-N
MW204.28 g/mol
LogP0.72
Rot. Bonds2

About N-(5,6-dimethylpyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine

N-(5,6-dimethylpyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 114476406) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is N-(5,6-dimethylpyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound NameN-(5,6-dimethylpyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID114476406
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC NameN-(5,6-dimethylpyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCc1ncc(NC2C3CNCC32)nc1C
InChIInChI=1S/C11H16N4/c1-6-7(2)14-10(5-13-6)15-11-8-3-12-4-9(8)11/h5,8-9,11-12H,3-4H2,1-2H3,(H,14,15)
InChIKeyVEZLJWFNCXLYKB-UHFFFAOYSA-N
XLogP0.72
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethylpyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of N-(5,6-dimethylpyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 114476406) is N-(5,6-dimethylpyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for N-(5,6-dimethylpyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for N-(5,6-dimethylpyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine is Cc1ncc(NC2C3CNCC32)nc1C.
What is the InChIKey of N-(5,6-dimethylpyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is VEZLJWFNCXLYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-6-7(2)14-10(5-13-6)15-11-8-3-12-4-9(8)11/h5,8-9,11-12H,3-4H2,1-2H3,(H,14,15).
What are the key properties of N-(5,6-dimethylpyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
N-(5,6-dimethylpyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 204.28 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethylpyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 114476406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).