2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one

C13H19ClN6O — CID 103223738

IUPAC2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
SMILESCNCCNc1cnn(Cc2c(C)nn(C)c2Cl)c(=O)c1
InChIInChI=1S/C13H19ClN6O/c1-9-11(13(14)19(3)18-9)8-20-12(21)6-10(7-17-20)16-5-4-15-2/h6-7,15-16H,4-5,8H2,1-3H3
InChIKeyPRTPLBROIUBGPX-UHFFFAOYSA-N
MW310.79 g/mol
LogP0.62
Rot. Bonds6

About 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one

2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one (PubChem CID 103223738) has the molecular formula C13H19ClN6O and a molecular weight of 310.79 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
PubChem CID103223738
Molecular FormulaC13H19ClN6O
Molecular Weight310.79 g/mol
Exact Mass310.13
IUPAC Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
SMILESCNCCNc1cnn(Cc2c(C)nn(C)c2Cl)c(=O)c1
InChIInChI=1S/C13H19ClN6O/c1-9-11(13(14)19(3)18-9)8-20-12(21)6-10(7-17-20)16-5-4-15-2/h6-7,15-16H,4-5,8H2,1-3H3
InChIKeyPRTPLBROIUBGPX-UHFFFAOYSA-N
XLogP0.62
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
CID 103222013
5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one
CID 107067032
5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 103223530
2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223613
2-[(3-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223669
2-[(3-chloro-4-pyridinyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223550
2-[(2-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223620
5-[2-(methylamino)ethylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
CID 103223693
5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one
CID 103222890
5-[2-aminoethyl(methyl)amino]-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one
CID 103223526
2-[(2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223567
2-[(3,4-difluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223667

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one?
The IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one (CID 103223738) is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one.
What is the SMILES notation for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one?
The canonical SMILES for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one is CNCCNc1cnn(Cc2c(C)nn(C)c2Cl)c(=O)c1.
What is the InChIKey of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one?
The InChIKey is PRTPLBROIUBGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN6O/c1-9-11(13(14)19(3)18-9)8-20-12(21)6-10(7-17-20)16-5-4-15-2/h6-7,15-16H,4-5,8H2,1-3H3.
What are the key properties of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one?
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one has a molecular weight of 310.79 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one is sourced from PubChem (CID 103223738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).