1-[6-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-4-ol

C12H15N5O2 — CID 56770295

IUPAC1-[6-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-4-ol
SMILESCc1noc(-c2ccc(N3CCC(O)CC3)nn2)n1
InChIInChI=1S/C12H15N5O2/c1-8-13-12(19-16-8)10-2-3-11(15-14-10)17-6-4-9(18)5-7-17/h2-3,9,18H,4-7H2,1H3
InChIKeyPBSJNJGACQBXGF-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.80
Rot. Bonds2

About 1-[6-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-4-ol

1-[6-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-4-ol (PubChem CID 56770295) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-[6-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-4-ol
PubChem CID56770295
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name1-[6-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-4-ol
SMILESCc1noc(-c2ccc(N3CCC(O)CC3)nn2)n1
InChIInChI=1S/C12H15N5O2/c1-8-13-12(19-16-8)10-2-3-11(15-14-10)17-6-4-9(18)5-7-17/h2-3,9,18H,4-7H2,1H3
InChIKeyPBSJNJGACQBXGF-UHFFFAOYSA-N
XLogP0.80
TPSA88.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[6-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
CID 56769826
3-(4-methylphenyl)-5-[6-(4-piperidin-1-ylpiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole
CID 53021987
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole
CID 53021997
5-[6-[3-methoxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 164905960
ethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate
CID 53054466
5-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53021993
1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770780
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 56686570
1-(6-propylpyridazin-3-yl)piperidin-4-ol
CID 19797304
1-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]piperidin-4-ol
CID 116972763
5-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 53054502

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-4-ol?
The IUPAC name of 1-[6-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-4-ol (CID 56770295) is 1-[6-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-4-ol is Cc1noc(-c2ccc(N3CCC(O)CC3)nn2)n1.
What is the InChIKey of 1-[6-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-4-ol?
The InChIKey is PBSJNJGACQBXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-13-12(19-16-8)10-2-3-11(15-14-10)17-6-4-9(18)5-7-17/h2-3,9,18H,4-7H2,1H3.
What are the key properties of 1-[6-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-4-ol?
1-[6-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-4-ol has a molecular weight of 261.28 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-4-ol is sourced from PubChem (CID 56770295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).