5-chloro-4-[(2,4-dimethylphenyl)methyl-methylamino]-1H-pyridazin-6-one

C14H16ClN3O — CID 15079115

IUPAC5-chloro-4-[(2,4-dimethylphenyl)methyl-methylamino]-1H-pyridazin-6-one
SMILESCc1ccc(CN(C)c2cn[nH]c(=O)c2Cl)c(C)c1
InChIInChI=1S/C14H16ClN3O/c1-9-4-5-11(10(2)6-9)8-18(3)12-7-16-17-14(19)13(12)15/h4-7H,8H2,1-3H3,(H,17,19)
InChIKeyBHGYTLUREVRQDX-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.68
Rot. Bonds3

About 5-chloro-4-[(2,4-dimethylphenyl)methyl-methylamino]-1H-pyridazin-6-one

5-chloro-4-[(2,4-dimethylphenyl)methyl-methylamino]-1H-pyridazin-6-one (PubChem CID 15079115) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 5-chloro-4-[(2,4-dimethylphenyl)methyl-methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2,4-dimethylphenyl)methyl-methylamino]-1H-pyridazin-6-one
PubChem CID15079115
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name5-chloro-4-[(2,4-dimethylphenyl)methyl-methylamino]-1H-pyridazin-6-one
SMILESCc1ccc(CN(C)c2cn[nH]c(=O)c2Cl)c(C)c1
InChIInChI=1S/C14H16ClN3O/c1-9-4-5-11(10(2)6-9)8-18(3)12-7-16-17-14(19)13(12)15/h4-7H,8H2,1-3H3,(H,17,19)
InChIKeyBHGYTLUREVRQDX-UHFFFAOYSA-N
XLogP2.68
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2,4-dimethylphenyl)methyl-methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2,4-dimethylphenyl)methyl-methylamino]-1H-pyridazin-6-one (CID 15079115) is 5-chloro-4-[(2,4-dimethylphenyl)methyl-methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2,4-dimethylphenyl)methyl-methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2,4-dimethylphenyl)methyl-methylamino]-1H-pyridazin-6-one is Cc1ccc(CN(C)c2cn[nH]c(=O)c2Cl)c(C)c1.
What is the InChIKey of 5-chloro-4-[(2,4-dimethylphenyl)methyl-methylamino]-1H-pyridazin-6-one?
The InChIKey is BHGYTLUREVRQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-4-5-11(10(2)6-9)8-18(3)12-7-16-17-14(19)13(12)15/h4-7H,8H2,1-3H3,(H,17,19).
What are the key properties of 5-chloro-4-[(2,4-dimethylphenyl)methyl-methylamino]-1H-pyridazin-6-one?
5-chloro-4-[(2,4-dimethylphenyl)methyl-methylamino]-1H-pyridazin-6-one has a molecular weight of 277.75 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2,4-dimethylphenyl)methyl-methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 15079115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).