5-chloro-4-[(2-methyl-1-benzofuran-3-yl)methylamino]-1H-pyridazin-6-one

C14H12ClN3O2 — CID 122143383

IUPAC5-chloro-4-[(2-methyl-1-benzofuran-3-yl)methylamino]-1H-pyridazin-6-one
SMILESCc1oc2ccccc2c1CNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C14H12ClN3O2/c1-8-10(9-4-2-3-5-12(9)20-8)6-16-11-7-17-18-14(19)13(11)15/h2-5,7H,6H2,1H3,(H2,16,18,19)
InChIKeyUWKJHLWUTSFHHI-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.09
Rot. Bonds3

About 5-chloro-4-[(2-methyl-1-benzofuran-3-yl)methylamino]-1H-pyridazin-6-one

5-chloro-4-[(2-methyl-1-benzofuran-3-yl)methylamino]-1H-pyridazin-6-one (PubChem CID 122143383) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 5-chloro-4-[(2-methyl-1-benzofuran-3-yl)methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2-methyl-1-benzofuran-3-yl)methylamino]-1H-pyridazin-6-one
PubChem CID122143383
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name5-chloro-4-[(2-methyl-1-benzofuran-3-yl)methylamino]-1H-pyridazin-6-one
SMILESCc1oc2ccccc2c1CNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C14H12ClN3O2/c1-8-10(9-4-2-3-5-12(9)20-8)6-16-11-7-17-18-14(19)13(11)15/h2-5,7H,6H2,1H3,(H2,16,18,19)
InChIKeyUWKJHLWUTSFHHI-UHFFFAOYSA-N
XLogP3.09
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one
CID 133327918
4-chloro-2-iodo-N-[(2-methyl-1-benzofuran-3-yl)methyl]aniline
CID 107632422
5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one
CID 112730959
5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one
CID 78989356
5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one
CID 78970910
4-[(4-bromophenyl)methylamino]-5-chloro-1H-pyridazin-6-one
CID 78948051
5-chloro-4-[(4-methylthiophen-3-yl)methylamino]-1H-pyridazin-6-one
CID 80747448
4-[(2-amino-2-phenylethyl)amino]-5-chloro-1H-pyridazin-6-one
CID 80747062
5-chloro-4-(prop-2-ynylamino)-1H-pyridazin-6-one
CID 78913319
1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 146089692
4-bromo-2,5-difluoro-N-[(2-methyl-1-benzofuran-3-yl)methyl]aniline
CID 107609925
5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one
CID 78990669

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-methyl-1-benzofuran-3-yl)methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2-methyl-1-benzofuran-3-yl)methylamino]-1H-pyridazin-6-one (CID 122143383) is 5-chloro-4-[(2-methyl-1-benzofuran-3-yl)methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2-methyl-1-benzofuran-3-yl)methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2-methyl-1-benzofuran-3-yl)methylamino]-1H-pyridazin-6-one is Cc1oc2ccccc2c1CNc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(2-methyl-1-benzofuran-3-yl)methylamino]-1H-pyridazin-6-one?
The InChIKey is UWKJHLWUTSFHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-8-10(9-4-2-3-5-12(9)20-8)6-16-11-7-17-18-14(19)13(11)15/h2-5,7H,6H2,1H3,(H2,16,18,19).
What are the key properties of 5-chloro-4-[(2-methyl-1-benzofuran-3-yl)methylamino]-1H-pyridazin-6-one?
5-chloro-4-[(2-methyl-1-benzofuran-3-yl)methylamino]-1H-pyridazin-6-one has a molecular weight of 289.72 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-methyl-1-benzofuran-3-yl)methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 122143383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).