3-[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C15H19N5O — CID 54520680

IUPAC3-[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc(CNC2=NCCN2)cc1
InChIInChI=1S/C15H19N5O/c1-10-8-13(21)19-20-14(10)12-4-2-11(3-5-12)9-18-15-16-6-7-17-15/h2-5,10H,6-9H2,1H3,(H,19,21)(H2,16,17,18)
InChIKeyYPOSBUWGSWRDEF-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.60
Rot. Bonds3

About 3-[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 54520680) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID54520680
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc(CNC2=NCCN2)cc1
InChIInChI=1S/C15H19N5O/c1-10-8-13(21)19-20-14(10)12-4-2-11(3-5-12)9-18-15-16-6-7-17-15/h2-5,10H,6-9H2,1H3,(H,19,21)(H2,16,17,18)
InChIKeyYPOSBUWGSWRDEF-UHFFFAOYSA-N
XLogP0.60
TPSA77.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one with MolForge

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Related Compounds

1-Cyano-2-methyl-3-[3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propyl]guanidine
CID 12849107
1-Cyano-3-ethyl-2-[3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propyl]guanidine
CID 12849108
1-Cyano-2-methyl-3-[4-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]butyl]guanidine
CID 12849109
1-Cyano-3-ethyl-2-[4-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]butyl]guanidine
CID 12849110
1-Cyano-2-methyl-3-[5-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]pentyl]guanidine
CID 12849111
1-Cyano-3-ethyl-2-[5-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]pentyl]guanidine
CID 12849112
1-Cyano-2-methyl-3-[4-(5-methyl-6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)butyl]guanidine
CID 12849124
1-Cyano-3-ethyl-2-[4-(5-methyl-6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)butyl]guanidine
CID 12849125
1-Cyano-2-methyl-3-[4-(4-methyl-6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)butyl]guanidine
CID 12849126
1-Cyano-3-ethyl-2-[4-(4-methyl-6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)butyl]guanidine
CID 12849127
3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 13217344
1,2-dimethyl-3-[[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]methyl]guanidine
CID 13217345

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 54520680) is 3-[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CC1CC(=O)NN=C1c1ccc(CNC2=NCCN2)cc1.
What is the InChIKey of 3-[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is YPOSBUWGSWRDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-8-13(21)19-20-14(10)12-4-2-11(3-5-12)9-18-15-16-6-7-17-15/h2-5,10H,6-9H2,1H3,(H,19,21)(H2,16,17,18).
What are the key properties of 3-[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 285.35 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 54520680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).