1-(6-methylpyridazin-3-yl)-1,4-diazepane;dihydrobromide

C10H18Br2N4 — CID 54593049

IUPAC1-(6-methylpyridazin-3-yl)-1,4-diazepane;dihydrobromide
SMILESBr.Br.Cc1ccc(N2CCCNCC2)nn1
InChIInChI=1S/C10H16N4.2BrH/c1-9-3-4-10(13-12-9)14-7-2-5-11-6-8-14;;/h3-4,11H,2,5-8H2,1H3;2*1H
InChIKeyREOKEUQCSNPFKL-UHFFFAOYSA-N
MW354.09 g/mol
LogP1.74
Rot. Bonds1

About 1-(6-methylpyridazin-3-yl)-1,4-diazepane;dihydrobromide

1-(6-methylpyridazin-3-yl)-1,4-diazepane;dihydrobromide (PubChem CID 54593049) has the molecular formula C10H18Br2N4 and a molecular weight of 354.09 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)-1,4-diazepane;dihydrobromide.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)-1,4-diazepane;dihydrobromide
PubChem CID54593049
Molecular FormulaC10H18Br2N4
Molecular Weight354.09 g/mol
Exact Mass351.99
IUPAC Name1-(6-methylpyridazin-3-yl)-1,4-diazepane;dihydrobromide
SMILESBr.Br.Cc1ccc(N2CCCNCC2)nn1
InChIInChI=1S/C10H16N4.2BrH/c1-9-3-4-10(13-12-9)14-7-2-5-11-6-8-14;;/h3-4,11H,2,5-8H2,1H3;2*1H
InChIKeyREOKEUQCSNPFKL-UHFFFAOYSA-N
XLogP1.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.09
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)-1,4-diazepane;dihydrobromide?
The IUPAC name of 1-(6-methylpyridazin-3-yl)-1,4-diazepane;dihydrobromide (CID 54593049) is 1-(6-methylpyridazin-3-yl)-1,4-diazepane;dihydrobromide.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)-1,4-diazepane;dihydrobromide?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)-1,4-diazepane;dihydrobromide is Br.Br.Cc1ccc(N2CCCNCC2)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)-1,4-diazepane;dihydrobromide?
The InChIKey is REOKEUQCSNPFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4.2BrH/c1-9-3-4-10(13-12-9)14-7-2-5-11-6-8-14;;/h3-4,11H,2,5-8H2,1H3;2*1H.
What are the key properties of 1-(6-methylpyridazin-3-yl)-1,4-diazepane;dihydrobromide?
1-(6-methylpyridazin-3-yl)-1,4-diazepane;dihydrobromide has a molecular weight of 354.09 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)-1,4-diazepane;dihydrobromide is sourced from PubChem (CID 54593049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).