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

C6H12N4O — CID 102376399

IUPAC2-N-butyl-1,3,4-oxadiazole-2,5-diamine
SMILESCCCCNc1nnc(N)o1
InChIInChI=1S/C6H12N4O/c1-2-3-4-8-6-10-9-5(7)11-6/h2-4H2,1H3,(H2,7,9)(H,8,10)
InChIKeyOGZKQHLDLCGPAZ-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.86
Rot. Bonds4

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

2-N-butyl-1,3,4-oxadiazole-2,5-diamine (PubChem CID 102376399) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-N-butyl-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-butyl-1,3,4-oxadiazole-2,5-diamine
PubChem CID102376399
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-N-butyl-1,3,4-oxadiazole-2,5-diamine
SMILESCCCCNc1nnc(N)o1
InChIInChI=1S/C6H12N4O/c1-2-3-4-8-6-10-9-5(7)11-6/h2-4H2,1H3,(H2,7,9)(H,8,10)
InChIKeyOGZKQHLDLCGPAZ-UHFFFAOYSA-N
XLogP0.86
TPSA76.97 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 ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-butyl-1,3,4-oxadiazole-2,5-diamine (CID 102376399) is 2-N-butyl-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-butyl-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-butyl-1,3,4-oxadiazole-2,5-diamine is CCCCNc1nnc(N)o1.
What is the InChIKey of 2-N-butyl-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is OGZKQHLDLCGPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-2-3-4-8-6-10-9-5(7)11-6/h2-4H2,1H3,(H2,7,9)(H,8,10).
What are the key properties of 2-N-butyl-1,3,4-oxadiazole-2,5-diamine?
2-N-butyl-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 156.19 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 102376399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).