5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one

C15H25ClN4O — CID 114446229

IUPAC5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one
SMILESCCCn1ncc(N(CC)C2CCC(N)CC2)c(Cl)c1=O
InChIInChI=1S/C15H25ClN4O/c1-3-9-20-15(21)14(16)13(10-18-20)19(4-2)12-7-5-11(17)6-8-12/h10-12H,3-9,17H2,1-2H3
InChIKeyLIYZRXFFUZKXHJ-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.40
Rot. Bonds5

About 5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one

5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one (PubChem CID 114446229) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one
PubChem CID114446229
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one
SMILESCCCn1ncc(N(CC)C2CCC(N)CC2)c(Cl)c1=O
InChIInChI=1S/C15H25ClN4O/c1-3-9-20-15(21)14(16)13(10-18-20)19(4-2)12-7-5-11(17)6-8-12/h10-12H,3-9,17H2,1-2H3
InChIKeyLIYZRXFFUZKXHJ-UHFFFAOYSA-N
XLogP2.40
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one
CID 114445120
5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one
CID 114443755
4-chloro-5-[cyclopropyl(piperidin-4-ylmethyl)amino]-2-ethylpyridazin-3-one
CID 114446401
5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one
CID 114444669
5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one
CID 114445742
5-[azetidin-3-yl(propyl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114446030
methyl 2-[4-[azetidin-3-yl(ethyl)amino]-5-chloro-6-oxopyridazin-1-yl]acetate
CID 114446007
4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
CID 114437685
6-[(4-aminocyclohexyl)-propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 79117677
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114436229
4-chloro-5-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propylpyridazin-3-one
CID 106621465
4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
CID 114446541

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one?
The IUPAC name of 5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one (CID 114446229) is 5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one.
What is the SMILES notation for 5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one?
The canonical SMILES for 5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one is CCCn1ncc(N(CC)C2CCC(N)CC2)c(Cl)c1=O.
What is the InChIKey of 5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one?
The InChIKey is LIYZRXFFUZKXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-3-9-20-15(21)14(16)13(10-18-20)19(4-2)12-7-5-11(17)6-8-12/h10-12H,3-9,17H2,1-2H3.
What are the key properties of 5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one?
5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one has a molecular weight of 312.85 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one is sourced from PubChem (CID 114446229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).