N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine;dihydrobromide

C10H18Br2N4 — CID 54594366

IUPACN-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine;dihydrobromide
SMILESBr.Br.CNCC1CCCN1c1cccnn1
InChIInChI=1S/C10H16N4.2BrH/c1-11-8-9-4-3-7-14(9)10-5-2-6-12-13-10;;/h2,5-6,9,11H,3-4,7-8H2,1H3;2*1H
InChIKeyQBXXKNZVRLJSDO-UHFFFAOYSA-N
MW354.09 g/mol
LogP1.82
Rot. Bonds3

About N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine;dihydrobromide

N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine;dihydrobromide (PubChem CID 54594366) has the molecular formula C10H18Br2N4 and a molecular weight of 354.09 g/mol. Its IUPAC name is N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine;dihydrobromide.

Molecular Properties

Compound NameN-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine;dihydrobromide
PubChem CID54594366
Molecular FormulaC10H18Br2N4
Molecular Weight354.09 g/mol
Exact Mass351.99
IUPAC NameN-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine;dihydrobromide
SMILESBr.Br.CNCC1CCCN1c1cccnn1
InChIInChI=1S/C10H16N4.2BrH/c1-11-8-9-4-3-7-14(9)10-5-2-6-12-13-10;;/h2,5-6,9,11H,3-4,7-8H2,1H3;2*1H
InChIKeyQBXXKNZVRLJSDO-UHFFFAOYSA-N
XLogP1.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.09
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine;dihydrobromide?
The IUPAC name of N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine;dihydrobromide (CID 54594366) is N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine;dihydrobromide.
What is the SMILES notation for N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine;dihydrobromide?
The canonical SMILES for N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine;dihydrobromide is Br.Br.CNCC1CCCN1c1cccnn1.
What is the InChIKey of N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine;dihydrobromide?
The InChIKey is QBXXKNZVRLJSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4.2BrH/c1-11-8-9-4-3-7-14(9)10-5-2-6-12-13-10;;/h2,5-6,9,11H,3-4,7-8H2,1H3;2*1H.
What are the key properties of N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine;dihydrobromide?
N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine;dihydrobromide has a molecular weight of 354.09 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine;dihydrobromide is sourced from PubChem (CID 54594366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).