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

C14H17N5O — CID 13217344

IUPAC3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C14H17N5O/c1-9-8-12(20)18-19-13(9)10-2-4-11(5-3-10)17-14-15-6-7-16-14/h2-5,9H,6-8H2,1H3,(H,18,20)(H2,15,16,17)
InChIKeyRZXJIERYGRWPNJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.92
Rot. Bonds2

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

3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 13217344) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID13217344
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C14H17N5O/c1-9-8-12(20)18-19-13(9)10-2-4-11(5-3-10)17-14-15-6-7-16-14/h2-5,9H,6-8H2,1H3,(H,18,20)(H2,15,16,17)
InChIKeyRZXJIERYGRWPNJ-UHFFFAOYSA-N
XLogP0.92
TPSA77.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 13217344) is 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)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)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CC1CC(=O)NN=C1c1ccc(NC2=NCCN2)cc1.
What is the InChIKey of 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is RZXJIERYGRWPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9-8-12(20)18-19-13(9)10-2-4-11(5-3-10)17-14-15-6-7-16-14/h2-5,9H,6-8H2,1H3,(H,18,20)(H2,15,16,17).
What are the key properties of 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 271.32 g/mol, XLogP of 0.92, 2 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)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 13217344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).