N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-6-phenylpyridazin-3-amine;hydrochloride

C24H29ClN4 — CID 45262812

IUPACN-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-6-phenylpyridazin-3-amine;hydrochloride
SMILESCl.c1ccc(-c2ccc(NCCCCCN3CCc4ccccc4C3)nn2)cc1
InChIInChI=1S/C24H28N4.ClH/c1-3-10-21(11-4-1)23-13-14-24(27-26-23)25-16-7-2-8-17-28-18-15-20-9-5-6-12-22(20)19-28;/h1,3-6,9-14H,2,7-8,15-19H2,(H,25,27);1H
InChIKeyFSUDETCTBFTIHA-UHFFFAOYSA-N
MW408.98 g/mol
LogP5.21
Rot. Bonds8

About N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-6-phenylpyridazin-3-amine;hydrochloride

N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-6-phenylpyridazin-3-amine;hydrochloride (PubChem CID 45262812) has the molecular formula C24H29ClN4 and a molecular weight of 408.98 g/mol. Its IUPAC name is N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-6-phenylpyridazin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-6-phenylpyridazin-3-amine;hydrochloride
PubChem CID45262812
Molecular FormulaC24H29ClN4
Molecular Weight408.98 g/mol
Exact Mass408.21
IUPAC NameN-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-6-phenylpyridazin-3-amine;hydrochloride
SMILESCl.c1ccc(-c2ccc(NCCCCCN3CCc4ccccc4C3)nn2)cc1
InChIInChI=1S/C24H28N4.ClH/c1-3-10-21(11-4-1)23-13-14-24(27-26-23)25-16-7-2-8-17-28-18-15-20-9-5-6-12-22(20)19-28;/h1,3-6,9-14H,2,7-8,15-19H2,(H,25,27);1H
InChIKeyFSUDETCTBFTIHA-UHFFFAOYSA-N
XLogP5.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.98
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-6-phenylpyridazin-3-amine;hydrochloride?
The IUPAC name of N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-6-phenylpyridazin-3-amine;hydrochloride (CID 45262812) is N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-6-phenylpyridazin-3-amine;hydrochloride.
What is the SMILES notation for N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-6-phenylpyridazin-3-amine;hydrochloride?
The canonical SMILES for N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-6-phenylpyridazin-3-amine;hydrochloride is Cl.c1ccc(-c2ccc(NCCCCCN3CCc4ccccc4C3)nn2)cc1.
What is the InChIKey of N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-6-phenylpyridazin-3-amine;hydrochloride?
The InChIKey is FSUDETCTBFTIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4.ClH/c1-3-10-21(11-4-1)23-13-14-24(27-26-23)25-16-7-2-8-17-28-18-15-20-9-5-6-12-22(20)19-28;/h1,3-6,9-14H,2,7-8,15-19H2,(H,25,27);1H.
What are the key properties of N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-6-phenylpyridazin-3-amine;hydrochloride?
N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-6-phenylpyridazin-3-amine;hydrochloride has a molecular weight of 408.98 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-6-phenylpyridazin-3-amine;hydrochloride is sourced from PubChem (CID 45262812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).