pyridazin-4-ylmethanamine;N-(pyridazin-4-ylmethyl)benzamide;dihydrochloride

C17H20Cl2N6O — CID 159382337

IUPACpyridazin-4-ylmethanamine;N-(pyridazin-4-ylmethyl)benzamide;dihydrochloride
SMILESCl.Cl.NCc1ccnnc1.O=C(NCc1ccnnc1)c1ccccc1
InChIInChI=1S/C12H11N3O.C5H7N3.2ClH/c16-12(11-4-2-1-3-5-11)13-8-10-6-7-14-15-9-10;6-3-5-1-2-7-8-4-5;;/h1-7,9H,8H2,(H,13,16);1-2,4H,3,6H2;2*1H
InChIKeyLLBNSLQPPQPDJW-UHFFFAOYSA-N
MW395.29 g/mol
LogP2.19
Rot. Bonds4

About pyridazin-4-ylmethanamine;N-(pyridazin-4-ylmethyl)benzamide;dihydrochloride

pyridazin-4-ylmethanamine;N-(pyridazin-4-ylmethyl)benzamide;dihydrochloride (PubChem CID 159382337) has the molecular formula C17H20Cl2N6O and a molecular weight of 395.29 g/mol. Its IUPAC name is pyridazin-4-ylmethanamine;N-(pyridazin-4-ylmethyl)benzamide;dihydrochloride.

Molecular Properties

Compound Namepyridazin-4-ylmethanamine;N-(pyridazin-4-ylmethyl)benzamide;dihydrochloride
PubChem CID159382337
Molecular FormulaC17H20Cl2N6O
Molecular Weight395.29 g/mol
Exact Mass394.11
IUPAC Namepyridazin-4-ylmethanamine;N-(pyridazin-4-ylmethyl)benzamide;dihydrochloride
SMILESCl.Cl.NCc1ccnnc1.O=C(NCc1ccnnc1)c1ccccc1
InChIInChI=1S/C12H11N3O.C5H7N3.2ClH/c16-12(11-4-2-1-3-5-11)13-8-10-6-7-14-15-9-10;6-3-5-1-2-7-8-4-5;;/h1-7,9H,8H2,(H,13,16);1-2,4H,3,6H2;2*1H
InChIKeyLLBNSLQPPQPDJW-UHFFFAOYSA-N
XLogP2.19
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide
CID 104671375
N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate
CID 25062030
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
5-(aminomethyl)-N-benzylpyridine-2-carboxamide
CID 55230776
4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide
CID 106894633
4-(benzamidomethyl)benzoic acid
CID 10879683
2-[4-(benzamidomethyl)phenyl]acetic acid
CID 89464611
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229542

Frequently Asked Questions

What is the IUPAC name of pyridazin-4-ylmethanamine;N-(pyridazin-4-ylmethyl)benzamide;dihydrochloride?
The IUPAC name of pyridazin-4-ylmethanamine;N-(pyridazin-4-ylmethyl)benzamide;dihydrochloride (CID 159382337) is pyridazin-4-ylmethanamine;N-(pyridazin-4-ylmethyl)benzamide;dihydrochloride.
What is the SMILES notation for pyridazin-4-ylmethanamine;N-(pyridazin-4-ylmethyl)benzamide;dihydrochloride?
The canonical SMILES for pyridazin-4-ylmethanamine;N-(pyridazin-4-ylmethyl)benzamide;dihydrochloride is Cl.Cl.NCc1ccnnc1.O=C(NCc1ccnnc1)c1ccccc1.
What is the InChIKey of pyridazin-4-ylmethanamine;N-(pyridazin-4-ylmethyl)benzamide;dihydrochloride?
The InChIKey is LLBNSLQPPQPDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O.C5H7N3.2ClH/c16-12(11-4-2-1-3-5-11)13-8-10-6-7-14-15-9-10;6-3-5-1-2-7-8-4-5;;/h1-7,9H,8H2,(H,13,16);1-2,4H,3,6H2;2*1H.
What are the key properties of pyridazin-4-ylmethanamine;N-(pyridazin-4-ylmethyl)benzamide;dihydrochloride?
pyridazin-4-ylmethanamine;N-(pyridazin-4-ylmethyl)benzamide;dihydrochloride has a molecular weight of 395.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-4-ylmethanamine;N-(pyridazin-4-ylmethyl)benzamide;dihydrochloride is sourced from PubChem (CID 159382337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).