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

C8H13N5O2 — CID 673953

IUPAC(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2nonc2N)CC1
InChIInChI=1S/C8H13N5O2/c1-12-2-4-13(5-3-12)8(14)6-7(9)11-15-10-6/h2-5H2,1H3,(H2,9,11)
InChIKeyKQKPEPOSSQPUOT-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.96
Rot. Bonds1

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

(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 673953) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is (4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID673953
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2nonc2N)CC1
InChIInChI=1S/C8H13N5O2/c1-12-2-4-13(5-3-12)8(14)6-7(9)11-15-10-6/h2-5H2,1H3,(H2,9,11)
InChIKeyKQKPEPOSSQPUOT-UHFFFAOYSA-N
XLogP-0.96
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Pyrrolidine-1-carbonyl)-1,2,5-oxadiazol-3-amine
CID 673949
(4-Amino-furazan-3-yl)-piperidin-1-yl-methanone
CID 535637
3-{4-[(4-Amino-2-oxido-1,2,5-oxadiazol-3-yl)carbonyl]piperazin-1-yl}propanenitrile
CID 4916546
4-amino-N-isobutyl-1,2,5-oxadiazole-3-carboxamide
CID 4417218
Ethyl 4-[(4-amino-2-oxido-1,2,5-oxadiazol-3-yl)carbonyl]piperazine-1-carboxylate
CID 1505119
4-(Morpholine-4-carbonyl)-1,2,5-oxadiazol-3-amine
CID 551072
4-Amino-2-hydroxy(1,2,5-oxadiazol-3-yl) piperidyl ketone
CID 841662
(4-amino-2-hydroxy(1,2,5-oxadiazol-3-yl))-N,N-dimethylcarboxamide
CID 1268901
4-amino-N-butyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide
CID 3140730
4-Amino-N-(Piperidin-4-Yl)-1,2,5-Oxadiazole-3-Carboxamide
CID 118796822
(4-Amino-1,2,5-oxadiazol-3-yl)-(6,6-difluoro-1,4-diazepan-1-yl)methanone
CID 172268468
4-Amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide
CID 536746

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-1-yl)methanone (CID 673953) is (4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2nonc2N)CC1.
What is the InChIKey of (4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is KQKPEPOSSQPUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-12-2-4-13(5-3-12)8(14)6-7(9)11-15-10-6/h2-5H2,1H3,(H2,9,11).
What are the key properties of (4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 211.22 g/mol, XLogP of -0.96, 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)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 673953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).