5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole

C12H16N4O — CID 97121088

IUPAC5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
SMILESCC[C@H](C)Cc1nc(-c2ccc(C)nn2)no1
InChIInChI=1S/C12H16N4O/c1-4-8(2)7-11-13-12(16-17-11)10-6-5-9(3)14-15-10/h5-6,8H,4,7H2,1-3H3/t8-/m0/s1
InChIKeyDQDXPVPDXCMYHG-QMMMGPOBSA-N
MW232.29 g/mol
LogP2.42
Rot. Bonds4

About 5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole

5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole (PubChem CID 97121088) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
PubChem CID97121088
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
SMILESCC[C@H](C)Cc1nc(-c2ccc(C)nn2)no1
InChIInChI=1S/C12H16N4O/c1-4-8(2)7-11-13-12(16-17-11)10-6-5-9(3)14-15-10/h5-6,8H,4,7H2,1-3H3/t8-/m0/s1
InChIKeyDQDXPVPDXCMYHG-QMMMGPOBSA-N
XLogP2.42
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole 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

[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea
CID 70769894
1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103375297
5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 72908986
5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 70753725
1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 103375352
5-[(2S)-2-methylpentyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 154661009
3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 70732333
2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81072184
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660564
1-(azepan-1-yl)-3-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 70707902
3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 72863527
3-methyl-4-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106526041

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole (CID 97121088) is 5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole is CC[C@H](C)Cc1nc(-c2ccc(C)nn2)no1.
What is the InChIKey of 5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The InChIKey is DQDXPVPDXCMYHG-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-8(2)7-11-13-12(16-17-11)10-6-5-9(3)14-15-10/h5-6,8H,4,7H2,1-3H3/t8-/m0/s1.
What are the key properties of 5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole has a molecular weight of 232.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 97121088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).