4-amino-N,N-diethyl-1,2,5-oxadiazole-3-carboxamide

C7H12N4O2 — CID 17085488

IUPAC4-amino-N,N-diethyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCN(CC)C(=O)c1nonc1N
InChIInChI=1S/C7H12N4O2/c1-3-11(4-2)7(12)5-6(8)10-13-9-5/h3-4H2,1-2H3,(H2,8,10)
InChIKeyMGMPBVNTZODUKS-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.13
Rot. Bonds3

About 4-amino-N,N-diethyl-1,2,5-oxadiazole-3-carboxamide

4-amino-N,N-diethyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 17085488) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 4-amino-N,N-diethyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,N-diethyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID17085488
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name4-amino-N,N-diethyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCN(CC)C(=O)c1nonc1N
InChIInChI=1S/C7H12N4O2/c1-3-11(4-2)7(12)5-6(8)10-13-9-5/h3-4H2,1-2H3,(H2,8,10)
InChIKeyMGMPBVNTZODUKS-UHFFFAOYSA-N
XLogP0.13
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-diethyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N,N-diethyl-1,2,5-oxadiazole-3-carboxamide (CID 17085488) is 4-amino-N,N-diethyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,N-diethyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N,N-diethyl-1,2,5-oxadiazole-3-carboxamide is CCN(CC)C(=O)c1nonc1N.
What is the InChIKey of 4-amino-N,N-diethyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is MGMPBVNTZODUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-3-11(4-2)7(12)5-6(8)10-13-9-5/h3-4H2,1-2H3,(H2,8,10).
What are the key properties of 4-amino-N,N-diethyl-1,2,5-oxadiazole-3-carboxamide?
4-amino-N,N-diethyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 184.20 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-diethyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 17085488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).