N-(3-phenylpyridazin-4-yl)propanamide;hydrochloride

C13H14ClN3O — CID 70533304

IUPACN-(3-phenylpyridazin-4-yl)propanamide;hydrochloride
SMILESCCC(=O)Nc1ccnnc1-c1ccccc1.Cl
InChIInChI=1S/C13H13N3O.ClH/c1-2-12(17)15-11-8-9-14-16-13(11)10-6-4-3-5-7-10;/h3-9H,2H2,1H3,(H,14,15,17);1H
InChIKeySUBDCXZDPMUUFD-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.91
Rot. Bonds3

About N-(3-phenylpyridazin-4-yl)propanamide;hydrochloride

N-(3-phenylpyridazin-4-yl)propanamide;hydrochloride (PubChem CID 70533304) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-(3-phenylpyridazin-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-phenylpyridazin-4-yl)propanamide;hydrochloride
PubChem CID70533304
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-(3-phenylpyridazin-4-yl)propanamide;hydrochloride
SMILESCCC(=O)Nc1ccnnc1-c1ccccc1.Cl
InChIInChI=1S/C13H13N3O.ClH/c1-2-12(17)15-11-8-9-14-16-13(11)10-6-4-3-5-7-10;/h3-9H,2H2,1H3,(H,14,15,17);1H
InChIKeySUBDCXZDPMUUFD-UHFFFAOYSA-N
XLogP2.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpyridazin-4-yl)propanamide;hydrochloride?
The IUPAC name of N-(3-phenylpyridazin-4-yl)propanamide;hydrochloride (CID 70533304) is N-(3-phenylpyridazin-4-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-phenylpyridazin-4-yl)propanamide;hydrochloride?
The canonical SMILES for N-(3-phenylpyridazin-4-yl)propanamide;hydrochloride is CCC(=O)Nc1ccnnc1-c1ccccc1.Cl.
What is the InChIKey of N-(3-phenylpyridazin-4-yl)propanamide;hydrochloride?
The InChIKey is SUBDCXZDPMUUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O.ClH/c1-2-12(17)15-11-8-9-14-16-13(11)10-6-4-3-5-7-10;/h3-9H,2H2,1H3,(H,14,15,17);1H.
What are the key properties of N-(3-phenylpyridazin-4-yl)propanamide;hydrochloride?
N-(3-phenylpyridazin-4-yl)propanamide;hydrochloride has a molecular weight of 263.73 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpyridazin-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 70533304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).