2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-3-one

C12H13ClN4O — CID 103218866

IUPAC2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-3-one
SMILESCCNc1cnn(Cc2ccncc2Cl)c(=O)c1
InChIInChI=1S/C12H13ClN4O/c1-2-15-10-5-12(18)17(16-6-10)8-9-3-4-14-7-11(9)13/h3-7,15H,2,8H2,1H3
InChIKeyDSTMBNMRYSBMRU-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.77
Rot. Bonds4

About 2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-3-one

2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-3-one (PubChem CID 103218866) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-3-one
PubChem CID103218866
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-3-one
SMILESCCNc1cnn(Cc2ccncc2Cl)c(=O)c1
InChIInChI=1S/C12H13ClN4O/c1-2-15-10-5-12(18)17(16-6-10)8-9-3-4-14-7-11(9)13/h3-7,15H,2,8H2,1H3
InChIKeyDSTMBNMRYSBMRU-UHFFFAOYSA-N
XLogP1.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-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

Related Compounds

2-[(3-chloro-4-pyridinyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223550
2-[(4-bromo-2-chlorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220213
2-[(2,5-dichlorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220082
4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide
CID 103218894
5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one
CID 103220968
5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one
CID 103223127
2-[(2-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223620
2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one
CID 103218855
2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
CID 103221743
2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 107313022
2-[2-(dimethylamino)ethyl]-5-(ethylamino)pyridazin-3-one
CID 103219051
2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220104

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-3-one?
The IUPAC name of 2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-3-one (CID 103218866) is 2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-3-one?
The canonical SMILES for 2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-3-one is CCNc1cnn(Cc2ccncc2Cl)c(=O)c1.
What is the InChIKey of 2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-3-one?
The InChIKey is DSTMBNMRYSBMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-2-15-10-5-12(18)17(16-6-10)8-9-3-4-14-7-11(9)13/h3-7,15H,2,8H2,1H3.
What are the key properties of 2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-3-one?
2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-3-one has a molecular weight of 264.72 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-3-one is sourced from PubChem (CID 103218866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).