(4-amino-1,2,5-oxadiazol-3-yl)-pyrrolidin-1-ylmethanone

C7H10N4O2 — CID 673949

IUPAC(4-amino-1,2,5-oxadiazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESNc1nonc1C(=O)N1CCCC1
InChIInChI=1S/C7H10N4O2/c8-6-5(9-13-10-6)7(12)11-3-1-2-4-11/h1-4H2,(H2,8,10)
InChIKeyRTXGOCLAZZICQK-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.11
Rot. Bonds1

About (4-amino-1,2,5-oxadiazol-3-yl)-pyrrolidin-1-ylmethanone

(4-amino-1,2,5-oxadiazol-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 673949) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is (4-amino-1,2,5-oxadiazol-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-amino-1,2,5-oxadiazol-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID673949
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name(4-amino-1,2,5-oxadiazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESNc1nonc1C(=O)N1CCCC1
InChIInChI=1S/C7H10N4O2/c8-6-5(9-13-10-6)7(12)11-3-1-2-4-11/h1-4H2,(H2,8,10)
InChIKeyRTXGOCLAZZICQK-UHFFFAOYSA-N
XLogP-0.11
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-pyrrolidin-1-ylmethanone (CID 673949) is (4-amino-1,2,5-oxadiazol-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-amino-1,2,5-oxadiazol-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-amino-1,2,5-oxadiazol-3-yl)-pyrrolidin-1-ylmethanone is Nc1nonc1C(=O)N1CCCC1.
What is the InChIKey of (4-amino-1,2,5-oxadiazol-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is RTXGOCLAZZICQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c8-6-5(9-13-10-6)7(12)11-3-1-2-4-11/h1-4H2,(H2,8,10).
What are the key properties of (4-amino-1,2,5-oxadiazol-3-yl)-pyrrolidin-1-ylmethanone?
(4-amino-1,2,5-oxadiazol-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 182.18 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,2,5-oxadiazol-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 673949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).