N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine

C12H20N4 — CID 62285405

IUPACN-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCCC2)nn1
InChIInChI=1S/C12H20N4/c1-2-7-13-10-11-5-6-12(15-14-11)16-8-3-4-9-16/h5-6,13H,2-4,7-10H2,1H3
InChIKeyVQGDTCYJGIIMTC-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.58
Rot. Bonds5

About N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine

N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine (PubChem CID 62285405) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine
PubChem CID62285405
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCCC2)nn1
InChIInChI=1S/C12H20N4/c1-2-7-13-10-11-5-6-12(15-14-11)16-8-3-4-9-16/h5-6,13H,2-4,7-10H2,1H3
InChIKeyVQGDTCYJGIIMTC-UHFFFAOYSA-N
XLogP1.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine (CID 62285405) is N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine is CCCNCc1ccc(N2CCCC2)nn1.
What is the InChIKey of N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine?
The InChIKey is VQGDTCYJGIIMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-7-13-10-11-5-6-12(15-14-11)16-8-3-4-9-16/h5-6,13H,2-4,7-10H2,1H3.
What are the key properties of N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine?
N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 62285405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).