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

C9H16N4O2 — CID 17085489

IUPAC4-amino-N,N-dipropyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCCN(CCC)C(=O)c1nonc1N
InChIInChI=1S/C9H16N4O2/c1-3-5-13(6-4-2)9(14)7-8(10)12-15-11-7/h3-6H2,1-2H3,(H2,10,12)
InChIKeyFFMMLLYPAZDIDS-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.91
Rot. Bonds5

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

4-amino-N,N-dipropyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 17085489) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-amino-N,N-dipropyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,N-dipropyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID17085489
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-amino-N,N-dipropyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCCN(CCC)C(=O)c1nonc1N
InChIInChI=1S/C9H16N4O2/c1-3-5-13(6-4-2)9(14)7-8(10)12-15-11-7/h3-6H2,1-2H3,(H2,10,12)
InChIKeyFFMMLLYPAZDIDS-UHFFFAOYSA-N
XLogP0.91
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.91
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-dipropyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N,N-dipropyl-1,2,5-oxadiazole-3-carboxamide (CID 17085489) is 4-amino-N,N-dipropyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,N-dipropyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N,N-dipropyl-1,2,5-oxadiazole-3-carboxamide is CCCN(CCC)C(=O)c1nonc1N.
What is the InChIKey of 4-amino-N,N-dipropyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is FFMMLLYPAZDIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-5-13(6-4-2)9(14)7-8(10)12-15-11-7/h3-6H2,1-2H3,(H2,10,12).
What are the key properties of 4-amino-N,N-dipropyl-1,2,5-oxadiazole-3-carboxamide?
4-amino-N,N-dipropyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dipropyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 17085489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).