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

C13H18N4O — CID 110727399

IUPACcyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)C3CC3)CC2)nn1
InChIInChI=1S/C13H18N4O/c1-10-2-5-12(15-14-10)16-6-8-17(9-7-16)13(18)11-3-4-11/h2,5,11H,3-4,6-9H2,1H3
InChIKeyZTYIUKSQWYMSTL-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.84
Rot. Bonds2

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

cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 110727399) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID110727399
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Namecyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)C3CC3)CC2)nn1
InChIInChI=1S/C13H18N4O/c1-10-2-5-12(15-14-10)16-6-8-17(9-7-16)13(18)11-3-4-11/h2,5,11H,3-4,6-9H2,1H3
InChIKeyZTYIUKSQWYMSTL-UHFFFAOYSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 121118763
[4-(3-methylphenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methanone
CID 71794792
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methanone
CID 121118770
cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883287
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334392
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
cyclopropyl-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone
CID 30773847
(4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118558
[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-[(2S)-1-prop-2-ynylpiperidin-2-yl]methanone
CID 97071157
1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 121118396
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118403

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone (CID 110727399) is cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone is Cc1ccc(N2CCN(C(=O)C3CC3)CC2)nn1.
What is the InChIKey of cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is ZTYIUKSQWYMSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-2-5-12(15-14-10)16-6-8-17(9-7-16)13(18)11-3-4-11/h2,5,11H,3-4,6-9H2,1H3.
What are the key properties of cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone?
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 246.31 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 110727399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).