5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole

C13H14N6O — CID 97272204

IUPAC5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
SMILESCc1cnn([C@H](C)c2nc(-c3ccc(C)nn3)no2)c1
InChIInChI=1S/C13H14N6O/c1-8-6-14-19(7-8)10(3)13-15-12(18-20-13)11-5-4-9(2)16-17-11/h4-7,10H,1-3H3/t10-/m1/s1
InChIKeyBJOHJGDFIUXTBI-SNVBAGLBSA-N
MW270.30 g/mol
LogP1.95
Rot. Bonds3

About 5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole

5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole (PubChem CID 97272204) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
PubChem CID97272204
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
SMILESCc1cnn([C@H](C)c2nc(-c3ccc(C)nn3)no2)c1
InChIInChI=1S/C13H14N6O/c1-8-6-14-19(7-8)10(3)13-15-12(18-20-13)11-5-4-9(2)16-17-11/h4-7,10H,1-3H3/t10-/m1/s1
InChIKeyBJOHJGDFIUXTBI-SNVBAGLBSA-N
XLogP1.95
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 72902534
5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 97279950
3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 70732333
5-[(1R)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
CID 95306781
N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide
CID 72883781
5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 97121088
(1S)-2-(4-methoxyphenyl)-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 70756733
1-(4-methylpyrazol-1-yl)ethanamine
CID 155393136
3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 72863527
(1S)-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103372937
3-chloro-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 130821686
5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326681

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole (CID 97272204) is 5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole is Cc1cnn([C@H](C)c2nc(-c3ccc(C)nn3)no2)c1.
What is the InChIKey of 5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The InChIKey is BJOHJGDFIUXTBI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N6O/c1-8-6-14-19(7-8)10(3)13-15-12(18-20-13)11-5-4-9(2)16-17-11/h4-7,10H,1-3H3/t10-/m1/s1.
What are the key properties of 5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole has a molecular weight of 270.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 97272204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).