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

C12H17N5OS — CID 103223693

IUPAC5-[2-(methylamino)ethylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
SMILESCNCCNc1cnn(Cc2nc(C)cs2)c(=O)c1
InChIInChI=1S/C12H17N5OS/c1-9-8-19-11(16-9)7-17-12(18)5-10(6-15-17)14-4-3-13-2/h5-6,8,13-14H,3-4,7H2,1-2H3
InChIKeyPUGYQKSKWXNSMK-UHFFFAOYSA-N
MW279.37 g/mol
LogP0.69
Rot. Bonds6

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

5-[2-(methylamino)ethylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one (PubChem CID 103223693) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 5-[2-(methylamino)ethylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[2-(methylamino)ethylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
PubChem CID103223693
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name5-[2-(methylamino)ethylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
SMILESCNCCNc1cnn(Cc2nc(C)cs2)c(=O)c1
InChIInChI=1S/C12H17N5OS/c1-9-8-19-11(16-9)7-17-12(18)5-10(6-15-17)14-4-3-13-2/h5-6,8,13-14H,3-4,7H2,1-2H3
InChIKeyPUGYQKSKWXNSMK-UHFFFAOYSA-N
XLogP0.69
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.69
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

5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
CID 103220663
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223734
2-[(2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223567
5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one
CID 107067032
2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103223592
2-[(3-chloro-4-pyridinyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223550
5-[2-(methylamino)ethylamino]-2-(2-thiophen-2-ylethyl)pyridazin-3-one
CID 103223605
2-[(2-bromo-3-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223694
N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
CID 103223616
2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one
CID 103220168
2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 103223627
2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220104

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-[2-(methylamino)ethylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one (CID 103223693) is 5-[2-(methylamino)ethylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-[2-(methylamino)ethylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-[2-(methylamino)ethylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one is CNCCNc1cnn(Cc2nc(C)cs2)c(=O)c1.
What is the InChIKey of 5-[2-(methylamino)ethylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one?
The InChIKey is PUGYQKSKWXNSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-9-8-19-11(16-9)7-17-12(18)5-10(6-15-17)14-4-3-13-2/h5-6,8,13-14H,3-4,7H2,1-2H3.
What are the key properties of 5-[2-(methylamino)ethylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one?
5-[2-(methylamino)ethylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one has a molecular weight of 279.37 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103223693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).