4-[amino-(4-chlorophenyl)methyl]-2-ethyl-6-methylpyridazin-3-one

C14H16ClN3O — CID 82442733

IUPAC4-[amino-(4-chlorophenyl)methyl]-2-ethyl-6-methylpyridazin-3-one
SMILESCCn1nc(C)cc(C(N)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C14H16ClN3O/c1-3-18-14(19)12(8-9(2)17-18)13(16)10-4-6-11(15)7-5-10/h4-8,13H,3,16H2,1-2H3
InChIKeyKYXRXXDRTLHVLP-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.27
Rot. Bonds3

About 4-[amino-(4-chlorophenyl)methyl]-2-ethyl-6-methylpyridazin-3-one

4-[amino-(4-chlorophenyl)methyl]-2-ethyl-6-methylpyridazin-3-one (PubChem CID 82442733) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-[amino-(4-chlorophenyl)methyl]-2-ethyl-6-methylpyridazin-3-one.

Molecular Properties

Compound Name4-[amino-(4-chlorophenyl)methyl]-2-ethyl-6-methylpyridazin-3-one
PubChem CID82442733
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name4-[amino-(4-chlorophenyl)methyl]-2-ethyl-6-methylpyridazin-3-one
SMILESCCn1nc(C)cc(C(N)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C14H16ClN3O/c1-3-18-14(19)12(8-9(2)17-18)13(16)10-4-6-11(15)7-5-10/h4-8,13H,3,16H2,1-2H3
InChIKeyKYXRXXDRTLHVLP-UHFFFAOYSA-N
XLogP2.27
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one
CID 82442775
4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one
CID 82442816
3-[amino-(4-chlorophenyl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523256
4-[amino-(2,5-dimethylphenyl)methyl]-6-methyl-2-propylpyridazin-3-one
CID 82442812
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 110931263
(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
CID 79016195
6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
CID 82442349
4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one
CID 82442949
1-(3-chloro-4-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002629
2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82442720
(4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43198498
1-(4-bromo-3-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002755

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(4-chlorophenyl)methyl]-2-ethyl-6-methylpyridazin-3-one?
The IUPAC name of 4-[amino-(4-chlorophenyl)methyl]-2-ethyl-6-methylpyridazin-3-one (CID 82442733) is 4-[amino-(4-chlorophenyl)methyl]-2-ethyl-6-methylpyridazin-3-one.
What is the SMILES notation for 4-[amino-(4-chlorophenyl)methyl]-2-ethyl-6-methylpyridazin-3-one?
The canonical SMILES for 4-[amino-(4-chlorophenyl)methyl]-2-ethyl-6-methylpyridazin-3-one is CCn1nc(C)cc(C(N)c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 4-[amino-(4-chlorophenyl)methyl]-2-ethyl-6-methylpyridazin-3-one?
The InChIKey is KYXRXXDRTLHVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-18-14(19)12(8-9(2)17-18)13(16)10-4-6-11(15)7-5-10/h4-8,13H,3,16H2,1-2H3.
What are the key properties of 4-[amino-(4-chlorophenyl)methyl]-2-ethyl-6-methylpyridazin-3-one?
4-[amino-(4-chlorophenyl)methyl]-2-ethyl-6-methylpyridazin-3-one has a molecular weight of 277.75 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(4-chlorophenyl)methyl]-2-ethyl-6-methylpyridazin-3-one is sourced from PubChem (CID 82442733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).