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

C15H18ClN3O — CID 70532922

IUPACN-(3-phenylpyridazin-4-yl)pentanamide;hydrochloride
SMILESCCCCC(=O)Nc1ccnnc1-c1ccccc1.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-2-3-9-14(19)17-13-10-11-16-18-15(13)12-7-5-4-6-8-12;/h4-8,10-11H,2-3,9H2,1H3,(H,16,17,19);1H
InChIKeyLVLPKZKUPRKSBO-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.69
Rot. Bonds5

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

N-(3-phenylpyridazin-4-yl)pentanamide;hydrochloride (PubChem CID 70532922) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(3-phenylpyridazin-4-yl)pentanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-phenylpyridazin-4-yl)pentanamide;hydrochloride
PubChem CID70532922
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-(3-phenylpyridazin-4-yl)pentanamide;hydrochloride
SMILESCCCCC(=O)Nc1ccnnc1-c1ccccc1.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-2-3-9-14(19)17-13-10-11-16-18-15(13)12-7-5-4-6-8-12;/h4-8,10-11H,2-3,9H2,1H3,(H,16,17,19);1H
InChIKeyLVLPKZKUPRKSBO-UHFFFAOYSA-N
XLogP3.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.69
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)pentanamide;hydrochloride?
The IUPAC name of N-(3-phenylpyridazin-4-yl)pentanamide;hydrochloride (CID 70532922) is N-(3-phenylpyridazin-4-yl)pentanamide;hydrochloride.
What is the SMILES notation for N-(3-phenylpyridazin-4-yl)pentanamide;hydrochloride?
The canonical SMILES for N-(3-phenylpyridazin-4-yl)pentanamide;hydrochloride is CCCCC(=O)Nc1ccnnc1-c1ccccc1.Cl.
What is the InChIKey of N-(3-phenylpyridazin-4-yl)pentanamide;hydrochloride?
The InChIKey is LVLPKZKUPRKSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.ClH/c1-2-3-9-14(19)17-13-10-11-16-18-15(13)12-7-5-4-6-8-12;/h4-8,10-11H,2-3,9H2,1H3,(H,16,17,19);1H.
What are the key properties of N-(3-phenylpyridazin-4-yl)pentanamide;hydrochloride?
N-(3-phenylpyridazin-4-yl)pentanamide;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 3.69, 5 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)pentanamide;hydrochloride is sourced from PubChem (CID 70532922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).