2-N-(2-ethoxyethyl)-1,3,4-oxadiazole-2,5-diamine

C6H12N4O2 — CID 103436427

IUPAC2-N-(2-ethoxyethyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCOCCNc1nnc(N)o1
InChIInChI=1S/C6H12N4O2/c1-2-11-4-3-8-6-10-9-5(7)12-6/h2-4H2,1H3,(H2,7,9)(H,8,10)
InChIKeyITVQJSRRUPOTPB-UHFFFAOYSA-N
MW172.19 g/mol
LogP0.10
Rot. Bonds5

About 2-N-(2-ethoxyethyl)-1,3,4-oxadiazole-2,5-diamine

2-N-(2-ethoxyethyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436427) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436427
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name2-N-(2-ethoxyethyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCOCCNc1nnc(N)o1
InChIInChI=1S/C6H12N4O2/c1-2-11-4-3-8-6-10-9-5(7)12-6/h2-4H2,1H3,(H2,7,9)(H,8,10)
InChIKeyITVQJSRRUPOTPB-UHFFFAOYSA-N
XLogP0.10
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-ethoxyethyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-1,3,4-oxadiazole-2,5-diamine (CID 103436427) is 2-N-(2-ethoxyethyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-1,3,4-oxadiazole-2,5-diamine is CCOCCNc1nnc(N)o1.
What is the InChIKey of 2-N-(2-ethoxyethyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is ITVQJSRRUPOTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-2-11-4-3-8-6-10-9-5(7)12-6/h2-4H2,1H3,(H2,7,9)(H,8,10).
What are the key properties of 2-N-(2-ethoxyethyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(2-ethoxyethyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 172.19 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).