2-methyl-5-[[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole

C18H20N6O — CID 139027435

IUPAC2-methyl-5-[[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCN(c3ccc(-c4ccccc4)nn3)CC2)o1
InChIInChI=1S/C18H20N6O/c1-14-19-22-18(25-14)13-23-9-11-24(12-10-23)17-8-7-16(20-21-17)15-5-3-2-4-6-15/h2-8H,9-13H2,1H3
InChIKeyIGELTBWIPXQTIN-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.16
Rot. Bonds4

About 2-methyl-5-[[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole

2-methyl-5-[[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 139027435) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-methyl-5-[[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID139027435
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-methyl-5-[[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCN(c3ccc(-c4ccccc4)nn3)CC2)o1
InChIInChI=1S/C18H20N6O/c1-14-19-22-18(25-14)13-23-9-11-24(12-10-23)17-8-7-16(20-21-17)15-5-3-2-4-6-15/h2-8H,9-13H2,1H3
InChIKeyIGELTBWIPXQTIN-UHFFFAOYSA-N
XLogP2.16
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 139027698
2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 171996122
2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid
CID 82167521
2-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,3,4-thiadiazole
CID 108772733
5-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 139027734
3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 108775200
4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline
CID 108777250
3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 139029459
2-methyl-5-[[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 163352684
3-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyridazine
CID 29134956
2-methyl-5-[[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 171997908
2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 42110640

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 139027435) is 2-methyl-5-[[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is Cc1nnc(CN2CCN(c3ccc(-c4ccccc4)nn3)CC2)o1.
What is the InChIKey of 2-methyl-5-[[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is IGELTBWIPXQTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-14-19-22-18(25-14)13-23-9-11-24(12-10-23)17-8-7-16(20-21-17)15-5-3-2-4-6-15/h2-8H,9-13H2,1H3.
What are the key properties of 2-methyl-5-[[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-methyl-5-[[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 336.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 139027435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).