5-(diazinan-1-ylmethyl)-1,2,4-oxadiazole

C7H12N4O — CID 131198300

IUPAC5-(diazinan-1-ylmethyl)-1,2,4-oxadiazole
SMILESc1noc(CN2CCCCN2)n1
InChIInChI=1S/C7H12N4O/c1-2-4-11(9-3-1)5-7-8-6-10-12-7/h6,9H,1-5H2
InChIKeyPOQVKMOYSBQJOS-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.17
Rot. Bonds2

About 5-(diazinan-1-ylmethyl)-1,2,4-oxadiazole

5-(diazinan-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 131198300) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-(diazinan-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(diazinan-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID131198300
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name5-(diazinan-1-ylmethyl)-1,2,4-oxadiazole
SMILESc1noc(CN2CCCCN2)n1
InChIInChI=1S/C7H12N4O/c1-2-4-11(9-3-1)5-7-8-6-10-12-7/h6,9H,1-5H2
InChIKeyPOQVKMOYSBQJOS-UHFFFAOYSA-N
XLogP0.17
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(diazinan-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(diazinan-1-ylmethyl)-1,2,4-oxadiazole (CID 131198300) is 5-(diazinan-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(diazinan-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(diazinan-1-ylmethyl)-1,2,4-oxadiazole is c1noc(CN2CCCCN2)n1.
What is the InChIKey of 5-(diazinan-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is POQVKMOYSBQJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-2-4-11(9-3-1)5-7-8-6-10-12-7/h6,9H,1-5H2.
What are the key properties of 5-(diazinan-1-ylmethyl)-1,2,4-oxadiazole?
5-(diazinan-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 168.20 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diazinan-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 131198300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).