4-(dimethylaminomethylideneamino)-1,2,5-oxadiazole-3-carboxamide

C6H9N5O2 — CID 4979390

IUPAC4-(dimethylaminomethylideneamino)-1,2,5-oxadiazole-3-carboxamide
SMILESCN(C)/C=N/c1nonc1C(N)=O
InChIInChI=1S/C6H9N5O2/c1-11(2)3-8-6-4(5(7)12)9-13-10-6/h3H,1-2H3,(H2,7,12)/b8-3+
InChIKeyFMHVBZXCDHSFSL-FPYGCLRLSA-N
MW183.17 g/mol
LogP-0.61
Rot. Bonds3

About 4-(dimethylaminomethylideneamino)-1,2,5-oxadiazole-3-carboxamide

4-(dimethylaminomethylideneamino)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 4979390) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is 4-(dimethylaminomethylideneamino)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-(dimethylaminomethylideneamino)-1,2,5-oxadiazole-3-carboxamide
PubChem CID4979390
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name4-(dimethylaminomethylideneamino)-1,2,5-oxadiazole-3-carboxamide
SMILESCN(C)/C=N/c1nonc1C(N)=O
InChIInChI=1S/C6H9N5O2/c1-11(2)3-8-6-4(5(7)12)9-13-10-6/h3H,1-2H3,(H2,7,12)/b8-3+
InChIKeyFMHVBZXCDHSFSL-FPYGCLRLSA-N
XLogP-0.61
TPSA97.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylaminomethylideneamino)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-(dimethylaminomethylideneamino)-1,2,5-oxadiazole-3-carboxamide (CID 4979390) is 4-(dimethylaminomethylideneamino)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-(dimethylaminomethylideneamino)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-(dimethylaminomethylideneamino)-1,2,5-oxadiazole-3-carboxamide is CN(C)/C=N/c1nonc1C(N)=O.
What is the InChIKey of 4-(dimethylaminomethylideneamino)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is FMHVBZXCDHSFSL-FPYGCLRLSA-N. The full InChI is InChI=1S/C6H9N5O2/c1-11(2)3-8-6-4(5(7)12)9-13-10-6/h3H,1-2H3,(H2,7,12)/b8-3+.
What are the key properties of 4-(dimethylaminomethylideneamino)-1,2,5-oxadiazole-3-carboxamide?
4-(dimethylaminomethylideneamino)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 183.17 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylaminomethylideneamino)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 4979390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).