1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine

C16H20N4 — CID 106834182

IUPAC1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine
SMILESc1cnnc(CNCc2ccccc2N2CCCC2)c1
InChIInChI=1S/C16H20N4/c1-2-8-16(20-10-3-4-11-20)14(6-1)12-17-13-15-7-5-9-18-19-15/h1-2,5-9,17H,3-4,10-13H2
InChIKeyFVBLTLVIKGZYLE-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.37
Rot. Bonds5

About 1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine

1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine (PubChem CID 106834182) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine
PubChem CID106834182
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine
SMILESc1cnnc(CNCc2ccccc2N2CCCC2)c1
InChIInChI=1S/C16H20N4/c1-2-8-16(20-10-3-4-11-20)14(6-1)12-17-13-15-7-5-9-18-19-15/h1-2,5-9,17H,3-4,10-13H2
InChIKeyFVBLTLVIKGZYLE-UHFFFAOYSA-N
XLogP2.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
CID 61402192
1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60961154
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
CID 103884536
1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732323
N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine
CID 113342039
N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine
CID 43220494
3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 43777430
[1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478327
N'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide
CID 106896370
1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621560
2-imidazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 60658003
1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 60657557

Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine?
The IUPAC name of 1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine (CID 106834182) is 1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine.
What is the SMILES notation for 1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine?
The canonical SMILES for 1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine is c1cnnc(CNCc2ccccc2N2CCCC2)c1.
What is the InChIKey of 1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine?
The InChIKey is FVBLTLVIKGZYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-8-16(20-10-3-4-11-20)14(6-1)12-17-13-15-7-5-9-18-19-15/h1-2,5-9,17H,3-4,10-13H2.
What are the key properties of 1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine?
1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine has a molecular weight of 268.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine is sourced from PubChem (CID 106834182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).