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

C17H24N6O — CID 139028780

IUPAC5-[[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(CN2CCN(c3ccc(C4CC4)nn3)CC2)n1
InChIInChI=1S/C17H24N6O/c1-12(2)17-18-16(24-21-17)11-22-7-9-23(10-8-22)15-6-5-14(19-20-15)13-3-4-13/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyPAAFLWXZURPXKA-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.18
Rot. Bonds5

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

5-[[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 139028780) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-[[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID139028780
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name5-[[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(CN2CCN(c3ccc(C4CC4)nn3)CC2)n1
InChIInChI=1S/C17H24N6O/c1-12(2)17-18-16(24-21-17)11-22-7-9-23(10-8-22)15-6-5-14(19-20-15)13-3-4-13/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyPAAFLWXZURPXKA-UHFFFAOYSA-N
XLogP2.18
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60719354
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43556709
2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36638093
5-[[4-(difluoromethyl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 166603058
5-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 163345680
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 47020393
3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 171323647
5-[[4-(3-bromophenyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 165432503
5-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 66202752
4-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 43048630
5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 33439623
2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 95280329

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 139028780) is 5-[[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(CN2CCN(c3ccc(C4CC4)nn3)CC2)n1.
What is the InChIKey of 5-[[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is PAAFLWXZURPXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12(2)17-18-16(24-21-17)11-22-7-9-23(10-8-22)15-6-5-14(19-20-15)13-3-4-13/h5-6,12-13H,3-4,7-11H2,1-2H3.
What are the key properties of 5-[[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 328.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 139028780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).