methyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate

C14H18N6O3 — CID 133342751

IUPACmethyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCN(Cc3noc(C)n3)CC2)nn1
InChIInChI=1S/C14H18N6O3/c1-10-15-12(18-23-10)9-19-5-7-20(8-6-19)13-4-3-11(16-17-13)14(21)22-2/h3-4H,5-9H2,1-2H3
InChIKeyBLWHVKSRPXJUSP-UHFFFAOYSA-N
MW318.34 g/mol
LogP0.28
Rot. Bonds4

About methyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate

methyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate (PubChem CID 133342751) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is methyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate
PubChem CID133342751
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC Namemethyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCN(Cc3noc(C)n3)CC2)nn1
InChIInChI=1S/C14H18N6O3/c1-10-15-12(18-23-10)9-19-5-7-20(8-6-19)13-4-3-11(16-17-13)14(21)22-2/h3-4H,5-9H2,1-2H3
InChIKeyBLWHVKSRPXJUSP-UHFFFAOYSA-N
XLogP0.28
TPSA97.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
2-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
CID 166604581
6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-N-methylpyridazine-3-carboxamide
CID 133329524
6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 133342735
6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133342811
methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate
CID 75415769
methyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate
CID 167935467
5-methyl-3-[[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95847144
2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 56803236
3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 165431907
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 55119293
3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 165431847

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate (CID 133342751) is methyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate is COC(=O)c1ccc(N2CCN(Cc3noc(C)n3)CC2)nn1.
What is the InChIKey of methyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate?
The InChIKey is BLWHVKSRPXJUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3/c1-10-15-12(18-23-10)9-19-5-7-20(8-6-19)13-4-3-11(16-17-13)14(21)22-2/h3-4H,5-9H2,1-2H3.
What are the key properties of methyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate?
methyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate has a molecular weight of 318.34 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate is sourced from PubChem (CID 133342751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).