N-methyl-N-piperidin-4-ylpyridazin-3-amine;dihydrobromide

C10H18Br2N4 — CID 54593964

IUPACN-methyl-N-piperidin-4-ylpyridazin-3-amine;dihydrobromide
SMILESBr.Br.CN(c1cccnn1)C1CCNCC1
InChIInChI=1S/C10H16N4.2BrH/c1-14(9-4-7-11-8-5-9)10-3-2-6-12-13-10;;/h2-3,6,9,11H,4-5,7-8H2,1H3;2*1H
InChIKeyVSOMNNOADTWOHJ-UHFFFAOYSA-N
MW354.09 g/mol
LogP1.82
Rot. Bonds2

About N-methyl-N-piperidin-4-ylpyridazin-3-amine;dihydrobromide

N-methyl-N-piperidin-4-ylpyridazin-3-amine;dihydrobromide (PubChem CID 54593964) has the molecular formula C10H18Br2N4 and a molecular weight of 354.09 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-ylpyridazin-3-amine;dihydrobromide.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-ylpyridazin-3-amine;dihydrobromide
PubChem CID54593964
Molecular FormulaC10H18Br2N4
Molecular Weight354.09 g/mol
Exact Mass351.99
IUPAC NameN-methyl-N-piperidin-4-ylpyridazin-3-amine;dihydrobromide
SMILESBr.Br.CN(c1cccnn1)C1CCNCC1
InChIInChI=1S/C10H16N4.2BrH/c1-14(9-4-7-11-8-5-9)10-3-2-6-12-13-10;;/h2-3,6,9,11H,4-5,7-8H2,1H3;2*1H
InChIKeyVSOMNNOADTWOHJ-UHFFFAOYSA-N
XLogP1.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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-N-piperidin-4-ylpyridazin-3-amine;dihydrobromide?
The IUPAC name of N-methyl-N-piperidin-4-ylpyridazin-3-amine;dihydrobromide (CID 54593964) is N-methyl-N-piperidin-4-ylpyridazin-3-amine;dihydrobromide.
What is the SMILES notation for N-methyl-N-piperidin-4-ylpyridazin-3-amine;dihydrobromide?
The canonical SMILES for N-methyl-N-piperidin-4-ylpyridazin-3-amine;dihydrobromide is Br.Br.CN(c1cccnn1)C1CCNCC1.
What is the InChIKey of N-methyl-N-piperidin-4-ylpyridazin-3-amine;dihydrobromide?
The InChIKey is VSOMNNOADTWOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4.2BrH/c1-14(9-4-7-11-8-5-9)10-3-2-6-12-13-10;;/h2-3,6,9,11H,4-5,7-8H2,1H3;2*1H.
What are the key properties of N-methyl-N-piperidin-4-ylpyridazin-3-amine;dihydrobromide?
N-methyl-N-piperidin-4-ylpyridazin-3-amine;dihydrobromide has a molecular weight of 354.09 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-ylpyridazin-3-amine;dihydrobromide is sourced from PubChem (CID 54593964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).