N-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C11H16N4 — CID 62482243

IUPACN-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESc1cnnc(NC2CCN3CCCC23)c1
InChIInChI=1S/C11H16N4/c1-4-11(14-12-6-1)13-9-5-8-15-7-2-3-10(9)15/h1,4,6,9-10H,2-3,5,7-8H2,(H,13,14)
InChIKeyOCGKFPPTLHARLX-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.13
Rot. Bonds2

About N-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 62482243) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is N-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID62482243
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC NameN-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESc1cnnc(NC2CCN3CCCC23)c1
InChIInChI=1S/C11H16N4/c1-4-11(14-12-6-1)13-9-5-8-15-7-2-3-10(9)15/h1,4,6,9-10H,2-3,5,7-8H2,(H,13,14)
InChIKeyOCGKFPPTLHARLX-UHFFFAOYSA-N
XLogP1.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 62482243) is N-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is c1cnnc(NC2CCN3CCCC23)c1.
What is the InChIKey of N-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is OCGKFPPTLHARLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-4-11(14-12-6-1)13-9-5-8-15-7-2-3-10(9)15/h1,4,6,9-10H,2-3,5,7-8H2,(H,13,14).
What are the key properties of N-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 204.28 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 62482243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).