N',5-dimethyl-N-(1,2,4-triazol-4-yl)-1,2,4-oxadiazole-3-carboximidamide

C7H9N7O — CID 5246608

IUPACN',5-dimethyl-N-(1,2,4-triazol-4-yl)-1,2,4-oxadiazole-3-carboximidamide
SMILESC/N=C(/Nn1cnnc1)c1noc(C)n1
InChIInChI=1S/C7H9N7O/c1-5-11-7(13-15-5)6(8-2)12-14-3-9-10-4-14/h3-4H,1-2H3,(H,8,12)
InChIKeyNEUOYCOOYMOARE-UHFFFAOYSA-N
MW207.20 g/mol
LogP-0.41
Rot. Bonds2

About N',5-dimethyl-N-(1,2,4-triazol-4-yl)-1,2,4-oxadiazole-3-carboximidamide

N',5-dimethyl-N-(1,2,4-triazol-4-yl)-1,2,4-oxadiazole-3-carboximidamide (PubChem CID 5246608) has the molecular formula C7H9N7O and a molecular weight of 207.20 g/mol. Its IUPAC name is N',5-dimethyl-N-(1,2,4-triazol-4-yl)-1,2,4-oxadiazole-3-carboximidamide.

Molecular Properties

Compound NameN',5-dimethyl-N-(1,2,4-triazol-4-yl)-1,2,4-oxadiazole-3-carboximidamide
PubChem CID5246608
Molecular FormulaC7H9N7O
Molecular Weight207.20 g/mol
Exact Mass207.09
IUPAC NameN',5-dimethyl-N-(1,2,4-triazol-4-yl)-1,2,4-oxadiazole-3-carboximidamide
SMILESC/N=C(/Nn1cnnc1)c1noc(C)n1
InChIInChI=1S/C7H9N7O/c1-5-11-7(13-15-5)6(8-2)12-14-3-9-10-4-14/h3-4H,1-2H3,(H,8,12)
InChIKeyNEUOYCOOYMOARE-UHFFFAOYSA-N
XLogP-0.41
TPSA94.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-1,2,4-triazol-5-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 62946117
5-tert-butyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944122
5-propan-2-yl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944124
5-methyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62946634
3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 131159756
5-methyl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
CID 142391598
5-Ethyl-3-(1-ethyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 146448622
5-Ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 146448721
3,5-dimethyl-1,2,4-oxadiazole;methane;5-methyl-2H-tetrazole
CID 157610669
3,5-dimethyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole
CID 160885935
3,5-dimethyl-1,2,4-oxadiazole;5-methyl-2H-tetrazole
CID 161430135
[3-(5-Methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl] acetate
CID 175067339

Frequently Asked Questions

What is the IUPAC name of N',5-dimethyl-N-(1,2,4-triazol-4-yl)-1,2,4-oxadiazole-3-carboximidamide?
The IUPAC name of N',5-dimethyl-N-(1,2,4-triazol-4-yl)-1,2,4-oxadiazole-3-carboximidamide (CID 5246608) is N',5-dimethyl-N-(1,2,4-triazol-4-yl)-1,2,4-oxadiazole-3-carboximidamide.
What is the SMILES notation for N',5-dimethyl-N-(1,2,4-triazol-4-yl)-1,2,4-oxadiazole-3-carboximidamide?
The canonical SMILES for N',5-dimethyl-N-(1,2,4-triazol-4-yl)-1,2,4-oxadiazole-3-carboximidamide is C/N=C(/Nn1cnnc1)c1noc(C)n1.
What is the InChIKey of N',5-dimethyl-N-(1,2,4-triazol-4-yl)-1,2,4-oxadiazole-3-carboximidamide?
The InChIKey is NEUOYCOOYMOARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7O/c1-5-11-7(13-15-5)6(8-2)12-14-3-9-10-4-14/h3-4H,1-2H3,(H,8,12).
What are the key properties of N',5-dimethyl-N-(1,2,4-triazol-4-yl)-1,2,4-oxadiazole-3-carboximidamide?
N',5-dimethyl-N-(1,2,4-triazol-4-yl)-1,2,4-oxadiazole-3-carboximidamide has a molecular weight of 207.20 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N',5-dimethyl-N-(1,2,4-triazol-4-yl)-1,2,4-oxadiazole-3-carboximidamide is sourced from PubChem (CID 5246608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).