cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone

C13H18N4O2 — CID 16883287

IUPACcyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)C3CC3)CC2)nn1
InChIInChI=1S/C13H18N4O2/c1-19-12-5-4-11(14-15-12)16-6-8-17(9-7-16)13(18)10-2-3-10/h4-5,10H,2-3,6-9H2,1H3
InChIKeyVHCQGSKKZCWTOK-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.54
Rot. Bonds3

About cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone

cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 16883287) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID16883287
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Namecyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)C3CC3)CC2)nn1
InChIInChI=1S/C13H18N4O2/c1-19-12-5-4-11(14-15-12)16-6-8-17(9-7-16)13(18)10-2-3-10/h4-5,10H,2-3,6-9H2,1H3
InChIKeyVHCQGSKKZCWTOK-UHFFFAOYSA-N
XLogP0.54
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone
CID 30773847
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
CID 16883423
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 16883280
[4-(3-methoxyphenyl)piperazin-1-yl]-[1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 50771965
oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334392
1-(3,4-dimethylphenyl)-4-[4-(6-methoxypyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 16883409
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334454
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
CID 57443047
(2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883324
ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 121118763

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone (CID 16883287) is cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)C3CC3)CC2)nn1.
What is the InChIKey of cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is VHCQGSKKZCWTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-19-12-5-4-11(14-15-12)16-6-8-17(9-7-16)13(18)10-2-3-10/h4-5,10H,2-3,6-9H2,1H3.
What are the key properties of cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone?
cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 262.31 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 16883287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).