4-chloro-2-methyl-5-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]pyridazin-3-one

C13H15ClN8O — CID 75376374

IUPAC4-chloro-2-methyl-5-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]pyridazin-3-one
SMILESCc1cc(NCCNc2cnn(C)c(=O)c2Cl)n2ncnc2n1
InChIInChI=1S/C13H15ClN8O/c1-8-5-10(22-13(20-8)17-7-19-22)16-4-3-15-9-6-18-21(2)12(23)11(9)14/h5-7,15-16H,3-4H2,1-2H3
InChIKeyWAUGYKGQUHUYLB-UHFFFAOYSA-N
MW334.77 g/mol
LogP0.70
Rot. Bonds5

About 4-chloro-2-methyl-5-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]pyridazin-3-one

4-chloro-2-methyl-5-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]pyridazin-3-one (PubChem CID 75376374) has the molecular formula C13H15ClN8O and a molecular weight of 334.77 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]pyridazin-3-one
PubChem CID75376374
Molecular FormulaC13H15ClN8O
Molecular Weight334.77 g/mol
Exact Mass334.11
IUPAC Name4-chloro-2-methyl-5-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]pyridazin-3-one
SMILESCc1cc(NCCNc2cnn(C)c(=O)c2Cl)n2ncnc2n1
InChIInChI=1S/C13H15ClN8O/c1-8-5-10(22-13(20-8)17-7-19-22)16-4-3-15-9-6-18-21(2)12(23)11(9)14/h5-7,15-16H,3-4H2,1-2H3
InChIKeyWAUGYKGQUHUYLB-UHFFFAOYSA-N
XLogP0.70
TPSA102.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.77
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-pyridinyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 133354346
N-(5-chloropentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107320766
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
5-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79040439
1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 115702113
5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79003007
N,N-diethyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
CID 60926639
1-(4-chlorobenzoyl)-N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidine-3-carboxamide
CID 86875579
3-chloro-2-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]benzonitrile
CID 133354454
N-[3-(2,4-dichlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133356087
4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one
CID 115702094
5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 82944187

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]pyridazin-3-one (CID 75376374) is 4-chloro-2-methyl-5-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]pyridazin-3-one is Cc1cc(NCCNc2cnn(C)c(=O)c2Cl)n2ncnc2n1.
What is the InChIKey of 4-chloro-2-methyl-5-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]pyridazin-3-one?
The InChIKey is WAUGYKGQUHUYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN8O/c1-8-5-10(22-13(20-8)17-7-19-22)16-4-3-15-9-6-18-21(2)12(23)11(9)14/h5-7,15-16H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]pyridazin-3-one?
4-chloro-2-methyl-5-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]pyridazin-3-one has a molecular weight of 334.77 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]pyridazin-3-one is sourced from PubChem (CID 75376374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).