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

C12H16N4O2 — CID 70732333

IUPAC3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
SMILESCc1ccc(-c2noc(C(O)CC(C)C)n2)nn1
InChIInChI=1S/C12H16N4O2/c1-7(2)6-10(17)12-13-11(16-18-12)9-5-4-8(3)14-15-9/h4-5,7,10,17H,6H2,1-3H3
InChIKeyNCGKJBWLFAUVNC-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.91
Rot. Bonds4

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

3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol (PubChem CID 70732333) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
PubChem CID70732333
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
SMILESCc1ccc(-c2noc(C(O)CC(C)C)n2)nn1
InChIInChI=1S/C12H16N4O2/c1-7(2)6-10(17)12-13-11(16-18-12)9-5-4-8(3)14-15-9/h4-5,7,10,17H,6H2,1-3H3
InChIKeyNCGKJBWLFAUVNC-UHFFFAOYSA-N
XLogP1.91
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-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

N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide
CID 72883781
3-methyl-1-(6-methylpyridazin-3-yl)butan-1-ol
CID 130856881
5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 97272204
5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 97121088
5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 72902534
(1S)-2-(4-methoxyphenyl)-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 70756733
[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea
CID 70769894
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 103375293
3-chloro-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 130821686
3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43099782
(1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 107836639
[5-ethyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methanol
CID 146273061

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The IUPAC name of 3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol (CID 70732333) is 3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol.
What is the SMILES notation for 3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The canonical SMILES for 3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol is Cc1ccc(-c2noc(C(O)CC(C)C)n2)nn1.
What is the InChIKey of 3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The InChIKey is NCGKJBWLFAUVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7(2)6-10(17)12-13-11(16-18-12)9-5-4-8(3)14-15-9/h4-5,7,10,17H,6H2,1-3H3.
What are the key properties of 3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol has a molecular weight of 248.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol is sourced from PubChem (CID 70732333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).