3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide

C11H15ClN4O2 — CID 114417848

IUPAC3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide
SMILESCn1ncc(NCCC(=O)NC2CC2)c(Cl)c1=O
InChIInChI=1S/C11H15ClN4O2/c1-16-11(18)10(12)8(6-14-16)13-5-4-9(17)15-7-2-3-7/h6-7,13H,2-5H2,1H3,(H,15,17)
InChIKeyBAIHEAKMGNSJDA-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.51
Rot. Bonds5

About 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide

3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide (PubChem CID 114417848) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide
PubChem CID114417848
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide
SMILESCn1ncc(NCCC(=O)NC2CC2)c(Cl)c1=O
InChIInChI=1S/C11H15ClN4O2/c1-16-11(18)10(12)8(6-14-16)13-5-4-9(17)15-7-2-3-7/h6-7,13H,2-5H2,1H3,(H,15,17)
InChIKeyBAIHEAKMGNSJDA-UHFFFAOYSA-N
XLogP0.51
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide
CID 113222231
4-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylbutanamide
CID 114440058
N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 113222220
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]-N-cyclopropylacetamide
CID 114433701
2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide
CID 114433679
4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide
CID 102675428
4-chloro-5-[(3-ethylsulfanylcyclopentyl)amino]-2-methylpyridazin-3-one
CID 103704876
4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one
CID 113231653
5-[2-(4-aminocyclohexyl)oxyethylamino]-4-chloro-2-methylpyridazin-3-one
CID 114445249
4-chloro-2-methyl-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973471

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide (CID 114417848) is 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide is Cn1ncc(NCCC(=O)NC2CC2)c(Cl)c1=O.
What is the InChIKey of 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide?
The InChIKey is BAIHEAKMGNSJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-16-11(18)10(12)8(6-14-16)13-5-4-9(17)15-7-2-3-7/h6-7,13H,2-5H2,1H3,(H,15,17).
What are the key properties of 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide?
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide has a molecular weight of 270.72 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 114417848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).