(4-amino-1,2,5-oxadiazol-3-yl)-(4-prop-2-enylpiperazin-1-yl)methanone

C10H15N5O2 — CID 62687829

IUPAC(4-amino-1,2,5-oxadiazol-3-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2nonc2N)CC1
InChIInChI=1S/C10H15N5O2/c1-2-3-14-4-6-15(7-5-14)10(16)8-9(11)13-17-12-8/h2H,1,3-7H2,(H2,11,13)
InChIKeyUNAMKEMFMVQQEI-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.40
Rot. Bonds3

About (4-amino-1,2,5-oxadiazol-3-yl)-(4-prop-2-enylpiperazin-1-yl)methanone

(4-amino-1,2,5-oxadiazol-3-yl)-(4-prop-2-enylpiperazin-1-yl)methanone (PubChem CID 62687829) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is (4-amino-1,2,5-oxadiazol-3-yl)-(4-prop-2-enylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1,2,5-oxadiazol-3-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
PubChem CID62687829
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name(4-amino-1,2,5-oxadiazol-3-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2nonc2N)CC1
InChIInChI=1S/C10H15N5O2/c1-2-3-14-4-6-15(7-5-14)10(16)8-9(11)13-17-12-8/h2H,1,3-7H2,(H2,11,13)
InChIKeyUNAMKEMFMVQQEI-UHFFFAOYSA-N
XLogP-0.40
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-(4-prop-2-enylpiperazin-1-yl)methanone (CID 62687829) is (4-amino-1,2,5-oxadiazol-3-yl)-(4-prop-2-enylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1,2,5-oxadiazol-3-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1,2,5-oxadiazol-3-yl)-(4-prop-2-enylpiperazin-1-yl)methanone is C=CCN1CCN(C(=O)c2nonc2N)CC1.
What is the InChIKey of (4-amino-1,2,5-oxadiazol-3-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The InChIKey is UNAMKEMFMVQQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-2-3-14-4-6-15(7-5-14)10(16)8-9(11)13-17-12-8/h2H,1,3-7H2,(H2,11,13).
What are the key properties of (4-amino-1,2,5-oxadiazol-3-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
(4-amino-1,2,5-oxadiazol-3-yl)-(4-prop-2-enylpiperazin-1-yl)methanone has a molecular weight of 237.26 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,2,5-oxadiazol-3-yl)-(4-prop-2-enylpiperazin-1-yl)methanone is sourced from PubChem (CID 62687829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).