[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]methanol

C9H10N4O2 — CID 102660193

IUPAC[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCc1cc(-c2nc(CO)no2)c(C)nn1
InChIInChI=1S/C9H10N4O2/c1-5-3-7(6(2)12-11-5)9-10-8(4-14)13-15-9/h3,14H,4H2,1-2H3
InChIKeySPYVAPWFGIYQMJ-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.64
Rot. Bonds2

About [5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]methanol

[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 102660193) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is [5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID102660193
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCc1cc(-c2nc(CO)no2)c(C)nn1
InChIInChI=1S/C9H10N4O2/c1-5-3-7(6(2)12-11-5)9-10-8(4-14)13-15-9/h3,14H,4H2,1-2H3
InChIKeySPYVAPWFGIYQMJ-UHFFFAOYSA-N
XLogP0.64
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]methanol (CID 102660193) is [5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]methanol is Cc1cc(-c2nc(CO)no2)c(C)nn1.
What is the InChIKey of [5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is SPYVAPWFGIYQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5-3-7(6(2)12-11-5)9-10-8(4-14)13-15-9/h3,14H,4H2,1-2H3.
What are the key properties of [5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 206.20 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 102660193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).