1,2-dimethyl-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine

C7H13N5O2 — CID 137214336

IUPAC1,2-dimethyl-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine
SMILESC/N=C(\NC)NCCc1noc(=O)[nH]1
InChIInChI=1S/C7H13N5O2/c1-8-6(9-2)10-4-3-5-11-7(13)14-12-5/h3-4H2,1-2H3,(H2,8,9,10)(H,11,12,13)
InChIKeyJZJKUDCGGBQORT-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.30
Rot. Bonds3

About 1,2-dimethyl-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine

1,2-dimethyl-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine (PubChem CID 137214336) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 1,2-dimethyl-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine
PubChem CID137214336
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name1,2-dimethyl-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine
SMILESC/N=C(\NC)NCCc1noc(=O)[nH]1
InChIInChI=1S/C7H13N5O2/c1-8-6(9-2)10-4-3-5-11-7(13)14-12-5/h3-4H2,1-2H3,(H2,8,9,10)(H,11,12,13)
InChIKeyJZJKUDCGGBQORT-UHFFFAOYSA-N
XLogP-1.30
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-(methylamino)ethyl]-4H-1,2,4-oxadiazol-5-one
CID 136197515
2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 137202443
1-methyl-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]thiourea
CID 137214341
2-methyl-1-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 137230126
3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4H-1,2,4-oxadiazol-5-one
CID 137266999

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The IUPAC name of 1,2-dimethyl-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine (CID 137214336) is 1,2-dimethyl-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The canonical SMILES for 1,2-dimethyl-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine is C/N=C(\NC)NCCc1noc(=O)[nH]1.
What is the InChIKey of 1,2-dimethyl-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The InChIKey is JZJKUDCGGBQORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-8-6(9-2)10-4-3-5-11-7(13)14-12-5/h3-4H2,1-2H3,(H2,8,9,10)(H,11,12,13).
What are the key properties of 1,2-dimethyl-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
1,2-dimethyl-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine has a molecular weight of 199.21 g/mol, XLogP of -1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine is sourced from PubChem (CID 137214336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).