4-amino-N,N-dimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide

C5H8N4O3 — CID 1268901

IUPAC4-amino-N,N-dimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide
SMILESCN(C)C(=O)c1c(N)no[n+]1[O-]
InChIInChI=1S/C5H8N4O3/c1-8(2)5(10)3-4(6)7-12-9(3)11/h1-2H3,(H2,6,7)
InChIKeyUXRPHPGVIAZXCR-UHFFFAOYSA-N
MW172.14 g/mol
LogP-1.41
Rot. Bonds1

About 4-amino-N,N-dimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide

4-amino-N,N-dimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide (PubChem CID 1268901) has the molecular formula C5H8N4O3 and a molecular weight of 172.14 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide
PubChem CID1268901
Molecular FormulaC5H8N4O3
Molecular Weight172.14 g/mol
Exact Mass172.06
IUPAC Name4-amino-N,N-dimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide
SMILESCN(C)C(=O)c1c(N)no[n+]1[O-]
InChIInChI=1S/C5H8N4O3/c1-8(2)5(10)3-4(6)7-12-9(3)11/h1-2H3,(H2,6,7)
InChIKeyUXRPHPGVIAZXCR-UHFFFAOYSA-N
XLogP-1.41
TPSA99.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(Pyrrolidine-1-carbonyl)-1,2,5-oxadiazol-3-amine
CID 673949
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
4-Amino-2-hydroxy(1,2,5-oxadiazol-3-yl) piperidyl ketone
CID 841662
(4-Amino-furazan-3-yl)-(4-methyl-piperazin-1-yl)-methanone
CID 673953
4-amino-N-(tert-butyl)-1,2,5-oxadiazole-3-carboxamide 2-oxide
CID 685647
4-amino-N-butyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide
CID 3140730
4-Amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide
CID 536746
N-(2-acetamidoethyl)-4-amino-1,2,5-oxadiazole-3-carboxamide
CID 537871
ST024305
CID 4385507
4-Dimethylaminomethyleneaminofurazan-3-carboxamide
CID 4979390
4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide
CID 55135044

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide?
The IUPAC name of 4-amino-N,N-dimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide (CID 1268901) is 4-amino-N,N-dimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide?
The canonical SMILES for 4-amino-N,N-dimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide is CN(C)C(=O)c1c(N)no[n+]1[O-].
What is the InChIKey of 4-amino-N,N-dimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide?
The InChIKey is UXRPHPGVIAZXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O3/c1-8(2)5(10)3-4(6)7-12-9(3)11/h1-2H3,(H2,6,7).
What are the key properties of 4-amino-N,N-dimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide?
4-amino-N,N-dimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide has a molecular weight of 172.14 g/mol, XLogP of -1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide is sourced from PubChem (CID 1268901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).