4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one

C11H19ClN4O — CID 12919579

IUPAC4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one
SMILESCCN(CC)CCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C11H19ClN4O/c1-4-16(5-2)7-6-13-9-8-14-15(3)11(17)10(9)12/h8,13H,4-7H2,1-3H3
InChIKeyQSRRWRYQNQTILQ-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.19
Rot. Bonds6

About 4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one

4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one (PubChem CID 12919579) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one
PubChem CID12919579
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one
SMILESCCN(CC)CCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C11H19ClN4O/c1-4-16(5-2)7-6-13-9-8-14-15(3)11(17)10(9)12/h8,13H,4-7H2,1-3H3
InChIKeyQSRRWRYQNQTILQ-UHFFFAOYSA-N
XLogP1.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one
CID 113231653
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one
CID 115702094
2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide
CID 102675428
4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649
4-chloro-5-(5-methoxypentylamino)-2-methylpyridazin-3-one
CID 113228424
N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 113222220
4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one
CID 115644108
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide
CID 113222231
4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one
CID 103525314
4-chloro-5-[(2,3-dihydroxy-2-methylpropyl)amino]-2-methylpyridazin-3-one
CID 114417844
4-chloro-5-[2-[ethyl(methyl)amino]ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115898938

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one (CID 12919579) is 4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one is CCN(CC)CCNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one?
The InChIKey is QSRRWRYQNQTILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-4-16(5-2)7-6-13-9-8-14-15(3)11(17)10(9)12/h8,13H,4-7H2,1-3H3.
What are the key properties of 4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one?
4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one has a molecular weight of 258.75 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 12919579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).