N-methyl-1-pyridazin-4-ylethanamine;dihydrochloride

C7H13Cl2N3 — CID 167737793

IUPACN-methyl-1-pyridazin-4-ylethanamine;dihydrochloride
SMILESCNC(C)c1ccnnc1.Cl.Cl
InChIInChI=1S/C7H11N3.2ClH/c1-6(8-2)7-3-4-9-10-5-7;;/h3-6,8H,1-2H3;2*1H
InChIKeySOZOENPFLSZHND-UHFFFAOYSA-N
MW210.11 g/mol
LogP1.60
Rot. Bonds2

About N-methyl-1-pyridazin-4-ylethanamine;dihydrochloride

N-methyl-1-pyridazin-4-ylethanamine;dihydrochloride (PubChem CID 167737793) has the molecular formula C7H13Cl2N3 and a molecular weight of 210.11 g/mol. Its IUPAC name is N-methyl-1-pyridazin-4-ylethanamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1-pyridazin-4-ylethanamine;dihydrochloride
PubChem CID167737793
Molecular FormulaC7H13Cl2N3
Molecular Weight210.11 g/mol
Exact Mass209.05
IUPAC NameN-methyl-1-pyridazin-4-ylethanamine;dihydrochloride
SMILESCNC(C)c1ccnnc1.Cl.Cl
InChIInChI=1S/C7H11N3.2ClH/c1-6(8-2)7-3-4-9-10-5-7;;/h3-6,8H,1-2H3;2*1H
InChIKeySOZOENPFLSZHND-UHFFFAOYSA-N
XLogP1.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyridazin-4-ylethanamine;dihydrochloride?
The IUPAC name of N-methyl-1-pyridazin-4-ylethanamine;dihydrochloride (CID 167737793) is N-methyl-1-pyridazin-4-ylethanamine;dihydrochloride.
What is the SMILES notation for N-methyl-1-pyridazin-4-ylethanamine;dihydrochloride?
The canonical SMILES for N-methyl-1-pyridazin-4-ylethanamine;dihydrochloride is CNC(C)c1ccnnc1.Cl.Cl.
What is the InChIKey of N-methyl-1-pyridazin-4-ylethanamine;dihydrochloride?
The InChIKey is SOZOENPFLSZHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.2ClH/c1-6(8-2)7-3-4-9-10-5-7;;/h3-6,8H,1-2H3;2*1H.
What are the key properties of N-methyl-1-pyridazin-4-ylethanamine;dihydrochloride?
N-methyl-1-pyridazin-4-ylethanamine;dihydrochloride has a molecular weight of 210.11 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyridazin-4-ylethanamine;dihydrochloride is sourced from PubChem (CID 167737793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).