2-N,5-N-diethyl-1,3,4-oxadiazole-2,5-diamine

C6H12N4O — CID 21331377

IUPAC2-N,5-N-diethyl-1,3,4-oxadiazole-2,5-diamine
SMILESCCNc1nnc(NCC)o1
InChIInChI=1S/C6H12N4O/c1-3-7-5-9-10-6(11-5)8-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyGDPGXEFQHMGQCQ-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.93
Rot. Bonds4

About 2-N,5-N-diethyl-1,3,4-oxadiazole-2,5-diamine

2-N,5-N-diethyl-1,3,4-oxadiazole-2,5-diamine (PubChem CID 21331377) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-N,5-N-diethyl-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N,5-N-diethyl-1,3,4-oxadiazole-2,5-diamine
PubChem CID21331377
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-N,5-N-diethyl-1,3,4-oxadiazole-2,5-diamine
SMILESCCNc1nnc(NCC)o1
InChIInChI=1S/C6H12N4O/c1-3-7-5-9-10-6(11-5)8-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyGDPGXEFQHMGQCQ-UHFFFAOYSA-N
XLogP0.93
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-diethyl-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N,5-N-diethyl-1,3,4-oxadiazole-2,5-diamine (CID 21331377) is 2-N,5-N-diethyl-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N,5-N-diethyl-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N,5-N-diethyl-1,3,4-oxadiazole-2,5-diamine is CCNc1nnc(NCC)o1.
What is the InChIKey of 2-N,5-N-diethyl-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is GDPGXEFQHMGQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-3-7-5-9-10-6(11-5)8-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10).
What are the key properties of 2-N,5-N-diethyl-1,3,4-oxadiazole-2,5-diamine?
2-N,5-N-diethyl-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 156.19 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-diethyl-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 21331377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).