N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide

C11H15ClN4O2 — CID 113222220

IUPACN-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCn1ncc(NCCNC(=O)C2CC2)c(Cl)c1=O
InChIInChI=1S/C11H15ClN4O2/c1-16-11(18)9(12)8(6-15-16)13-4-5-14-10(17)7-2-3-7/h6-7,13H,2-5H2,1H3,(H,14,17)
InChIKeyVQAVTMVENHGFOC-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.37
Rot. Bonds5

About N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 113222220) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID113222220
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC NameN-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCn1ncc(NCCNC(=O)C2CC2)c(Cl)c1=O
InChIInChI=1S/C11H15ClN4O2/c1-16-11(18)9(12)8(6-15-16)13-4-5-14-10(17)7-2-3-7/h6-7,13H,2-5H2,1H3,(H,14,17)
InChIKeyVQAVTMVENHGFOC-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide
CID 114417848
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 114442437
4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one
CID 12919579
4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one
CID 47149136
4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one
CID 113231653
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide
CID 113222231
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
4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one
CID 115702094
4-chloro-2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
CID 114417794
4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one
CID 103269750

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide (CID 113222220) is N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide is Cn1ncc(NCCNC(=O)C2CC2)c(Cl)c1=O.
What is the InChIKey of N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is VQAVTMVENHGFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-16-11(18)9(12)8(6-15-16)13-4-5-14-10(17)7-2-3-7/h6-7,13H,2-5H2,1H3,(H,14,17).
What are the key properties of N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 270.72 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113222220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).