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

C9H15N5O2 — CID 63633859

IUPAC(4-amino-1,2,5-oxadiazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2nonc2N)CCN1C
InChIInChI=1S/C9H15N5O2/c1-6-5-14(4-3-13(6)2)9(15)7-8(10)12-16-11-7/h6H,3-5H2,1-2H3,(H2,10,12)
InChIKeyANHCALFCXCRZCU-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.57
Rot. Bonds1

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

(4-amino-1,2,5-oxadiazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone (PubChem CID 63633859) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is (4-amino-1,2,5-oxadiazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1,2,5-oxadiazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
PubChem CID63633859
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name(4-amino-1,2,5-oxadiazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2nonc2N)CCN1C
InChIInChI=1S/C9H15N5O2/c1-6-5-14(4-3-13(6)2)9(15)7-8(10)12-16-11-7/h6H,3-5H2,1-2H3,(H2,10,12)
InChIKeyANHCALFCXCRZCU-UHFFFAOYSA-N
XLogP-0.57
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone
CID 11452890
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,2,5-oxadiazol-3-yl)methanone
CID 62685981
(4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 62687633
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605521
(4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63167078
(4-amino-1,2,5-oxadiazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 55116536
(4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605171
(5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63604993
(3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 105070123
1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369732
(4-amino-1,2,5-oxadiazol-3-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 62687829
(4-amino-1,2,5-oxadiazol-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81203292

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone (CID 63633859) is (4-amino-1,2,5-oxadiazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1,2,5-oxadiazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1,2,5-oxadiazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2nonc2N)CCN1C.
What is the InChIKey of (4-amino-1,2,5-oxadiazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The InChIKey is ANHCALFCXCRZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-6-5-14(4-3-13(6)2)9(15)7-8(10)12-16-11-7/h6H,3-5H2,1-2H3,(H2,10,12).
What are the key properties of (4-amino-1,2,5-oxadiazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
(4-amino-1,2,5-oxadiazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone has a molecular weight of 225.25 g/mol, XLogP of -0.57, 1 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)-(3,4-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 63633859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).