3-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]propanenitrile

C10H14N6O2 — CID 113291612

IUPAC3-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]propanenitrile
SMILESN#CCCN1CCN(C(=O)c2nonc2N)CC1
InChIInChI=1S/C10H14N6O2/c11-2-1-3-15-4-6-16(7-5-15)10(17)8-9(12)14-18-13-8/h1,3-7H2,(H2,12,14)
InChIKeyJHEPFVLFTTYXJE-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.68
Rot. Bonds3

About 3-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]propanenitrile

3-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]propanenitrile (PubChem CID 113291612) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]propanenitrile
PubChem CID113291612
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name3-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]propanenitrile
SMILESN#CCCN1CCN(C(=O)c2nonc2N)CC1
InChIInChI=1S/C10H14N6O2/c11-2-1-3-15-4-6-16(7-5-15)10(17)8-9(12)14-18-13-8/h1,3-7H2,(H2,12,14)
InChIKeyJHEPFVLFTTYXJE-UHFFFAOYSA-N
XLogP-0.68
TPSA112.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]propanenitrile (CID 113291612) is 3-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]propanenitrile is N#CCCN1CCN(C(=O)c2nonc2N)CC1.
What is the InChIKey of 3-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]propanenitrile?
The InChIKey is JHEPFVLFTTYXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c11-2-1-3-15-4-6-16(7-5-15)10(17)8-9(12)14-18-13-8/h1,3-7H2,(H2,12,14).
What are the key properties of 3-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]propanenitrile?
3-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]propanenitrile has a molecular weight of 250.26 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 113291612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).