3-methyl-4-(1H-pyrazol-5-yl)-1,2,5-oxadiazole

C6H6N4O — CID 6419306

IUPAC3-methyl-4-(1H-pyrazol-5-yl)-1,2,5-oxadiazole
SMILESCc1nonc1-c1ccn[nH]1
InChIInChI=1S/C6H6N4O/c1-4-6(10-11-9-4)5-2-3-7-8-5/h2-3H,1H3,(H,7,8)
InChIKeyKRGRWAXCMTXFMP-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.77
Rot. Bonds1

About 3-methyl-4-(1H-pyrazol-5-yl)-1,2,5-oxadiazole

3-methyl-4-(1H-pyrazol-5-yl)-1,2,5-oxadiazole (PubChem CID 6419306) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 3-methyl-4-(1H-pyrazol-5-yl)-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-(1H-pyrazol-5-yl)-1,2,5-oxadiazole
PubChem CID6419306
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name3-methyl-4-(1H-pyrazol-5-yl)-1,2,5-oxadiazole
SMILESCc1nonc1-c1ccn[nH]1
InChIInChI=1S/C6H6N4O/c1-4-6(10-11-9-4)5-2-3-7-8-5/h2-3H,1H3,(H,7,8)
InChIKeyKRGRWAXCMTXFMP-UHFFFAOYSA-N
XLogP0.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1H-pyrazol-5-yl)-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-(1H-pyrazol-5-yl)-1,2,5-oxadiazole (CID 6419306) is 3-methyl-4-(1H-pyrazol-5-yl)-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-(1H-pyrazol-5-yl)-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-(1H-pyrazol-5-yl)-1,2,5-oxadiazole is Cc1nonc1-c1ccn[nH]1.
What is the InChIKey of 3-methyl-4-(1H-pyrazol-5-yl)-1,2,5-oxadiazole?
The InChIKey is KRGRWAXCMTXFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-4-6(10-11-9-4)5-2-3-7-8-5/h2-3H,1H3,(H,7,8).
What are the key properties of 3-methyl-4-(1H-pyrazol-5-yl)-1,2,5-oxadiazole?
3-methyl-4-(1H-pyrazol-5-yl)-1,2,5-oxadiazole has a molecular weight of 150.14 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1H-pyrazol-5-yl)-1,2,5-oxadiazole is sourced from PubChem (CID 6419306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).