4-chloro-5-[cyclopropyl(piperidin-4-ylmethyl)amino]-2-ethylpyridazin-3-one

C15H23ClN4O — CID 114446401

IUPAC4-chloro-5-[cyclopropyl(piperidin-4-ylmethyl)amino]-2-ethylpyridazin-3-one
SMILESCCn1ncc(N(CC2CCNCC2)C2CC2)c(Cl)c1=O
InChIInChI=1S/C15H23ClN4O/c1-2-20-15(21)14(16)13(9-18-20)19(12-3-4-12)10-11-5-7-17-8-6-11/h9,11-12,17H,2-8,10H2,1H3
InChIKeyKOZABVYDPXOMDT-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.88
Rot. Bonds5

About 4-chloro-5-[cyclopropyl(piperidin-4-ylmethyl)amino]-2-ethylpyridazin-3-one

4-chloro-5-[cyclopropyl(piperidin-4-ylmethyl)amino]-2-ethylpyridazin-3-one (PubChem CID 114446401) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 4-chloro-5-[cyclopropyl(piperidin-4-ylmethyl)amino]-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[cyclopropyl(piperidin-4-ylmethyl)amino]-2-ethylpyridazin-3-one
PubChem CID114446401
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name4-chloro-5-[cyclopropyl(piperidin-4-ylmethyl)amino]-2-ethylpyridazin-3-one
SMILESCCn1ncc(N(CC2CCNCC2)C2CC2)c(Cl)c1=O
InChIInChI=1S/C15H23ClN4O/c1-2-20-15(21)14(16)13(9-18-20)19(12-3-4-12)10-11-5-7-17-8-6-11/h9,11-12,17H,2-8,10H2,1H3
InChIKeyKOZABVYDPXOMDT-UHFFFAOYSA-N
XLogP1.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one
CID 114446229
5-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-4-chloro-2-ethylpyridazin-3-one
CID 114444208
4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one
CID 114445120
4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one
CID 114446386
5-[azetidin-3-yl(propyl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114446030
4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl(pyrrolidin-3-yl)amino]pyridazin-3-one
CID 114444942
methyl 2-[4-[azetidin-3-yl(ethyl)amino]-5-chloro-6-oxopyridazin-1-yl]acetate
CID 114446007
4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
CID 114444303
4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
CID 114446541
4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
CID 114444318
4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-3-one
CID 114439119
N-cyclopropyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
CID 79720212

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[cyclopropyl(piperidin-4-ylmethyl)amino]-2-ethylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[cyclopropyl(piperidin-4-ylmethyl)amino]-2-ethylpyridazin-3-one (CID 114446401) is 4-chloro-5-[cyclopropyl(piperidin-4-ylmethyl)amino]-2-ethylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[cyclopropyl(piperidin-4-ylmethyl)amino]-2-ethylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[cyclopropyl(piperidin-4-ylmethyl)amino]-2-ethylpyridazin-3-one is CCn1ncc(N(CC2CCNCC2)C2CC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[cyclopropyl(piperidin-4-ylmethyl)amino]-2-ethylpyridazin-3-one?
The InChIKey is KOZABVYDPXOMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-2-20-15(21)14(16)13(9-18-20)19(12-3-4-12)10-11-5-7-17-8-6-11/h9,11-12,17H,2-8,10H2,1H3.
What are the key properties of 4-chloro-5-[cyclopropyl(piperidin-4-ylmethyl)amino]-2-ethylpyridazin-3-one?
4-chloro-5-[cyclopropyl(piperidin-4-ylmethyl)amino]-2-ethylpyridazin-3-one has a molecular weight of 310.83 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[cyclopropyl(piperidin-4-ylmethyl)amino]-2-ethylpyridazin-3-one is sourced from PubChem (CID 114446401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).