5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one

C16H16ClN5O — CID 133324149

IUPAC5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one
SMILESCn1ncc(NCc2nccn2Cc2ccccc2)c(Cl)c1=O
InChIInChI=1S/C16H16ClN5O/c1-21-16(23)15(17)13(9-20-21)19-10-14-18-7-8-22(14)11-12-5-3-2-4-6-12/h2-9,19H,10-11H2,1H3
InChIKeyUGTOFJXHCRBLGQ-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.29
Rot. Bonds5

About 5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one

5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one (PubChem CID 133324149) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one
PubChem CID133324149
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one
SMILESCn1ncc(NCc2nccn2Cc2ccccc2)c(Cl)c1=O
InChIInChI=1S/C16H16ClN5O/c1-21-16(23)15(17)13(9-20-21)19-10-14-18-7-8-22(14)11-12-5-3-2-4-6-12/h2-9,19H,10-11H2,1H3
InChIKeyUGTOFJXHCRBLGQ-UHFFFAOYSA-N
XLogP2.29
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one (CID 133324149) is 5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one is Cn1ncc(NCc2nccn2Cc2ccccc2)c(Cl)c1=O.
What is the InChIKey of 5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one?
The InChIKey is UGTOFJXHCRBLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-21-16(23)15(17)13(9-20-21)19-10-14-18-7-8-22(14)11-12-5-3-2-4-6-12/h2-9,19H,10-11H2,1H3.
What are the key properties of 5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one?
5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one has a molecular weight of 329.79 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 133324149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).