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

C11H11ClN4O — CID 112730959

IUPAC5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one
SMILESCc1ccc(CNc2cn[nH]c(=O)c2Cl)cn1
InChIInChI=1S/C11H11ClN4O/c1-7-2-3-8(4-13-7)5-14-9-6-15-16-11(17)10(9)12/h2-4,6H,5H2,1H3,(H2,14,16,17)
InChIKeyCOHKZRHJMABRMF-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.74
Rot. Bonds3

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

5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one (PubChem CID 112730959) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one
PubChem CID112730959
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one
SMILESCc1ccc(CNc2cn[nH]c(=O)c2Cl)cn1
InChIInChI=1S/C11H11ClN4O/c1-7-2-3-8(4-13-7)5-14-9-6-15-16-11(17)10(9)12/h2-4,6H,5H2,1H3,(H2,14,16,17)
InChIKeyCOHKZRHJMABRMF-UHFFFAOYSA-N
XLogP1.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one
CID 46682264
5-chloro-4-[(4-methylthiophen-3-yl)methylamino]-1H-pyridazin-6-one
CID 80747448
5-chloro-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-pyridazin-6-one
CID 133477281
5-chloro-4-(prop-2-ynylamino)-1H-pyridazin-6-one
CID 78913319
3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 79839877
5-chloro-4-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-1H-pyridazin-6-one
CID 133431333
5-chloro-4-[(2-methyl-1-benzofuran-3-yl)methylamino]-1H-pyridazin-6-one
CID 122143383
5-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one
CID 113220323
5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one
CID 78989356
5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one
CID 79033828

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one (CID 112730959) is 5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one is Cc1ccc(CNc2cn[nH]c(=O)c2Cl)cn1.
What is the InChIKey of 5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one?
The InChIKey is COHKZRHJMABRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-7-2-3-8(4-13-7)5-14-9-6-15-16-11(17)10(9)12/h2-4,6H,5H2,1H3,(H2,14,16,17).
What are the key properties of 5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one?
5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one has a molecular weight of 250.69 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 112730959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).