2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]guanidine

C6H11N5O — CID 131102017

IUPAC2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]guanidine
SMILESC/N=C(\N)NCc1nonc1C
InChIInChI=1S/C6H11N5O/c1-4-5(11-12-10-4)3-9-6(7)8-2/h3H2,1-2H3,(H3,7,8,9)
InChIKeyANGBRFUBQZSQML-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.59
Rot. Bonds2

About 2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]guanidine

2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]guanidine (PubChem CID 131102017) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]guanidine
PubChem CID131102017
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]guanidine
SMILESC/N=C(\N)NCc1nonc1C
InChIInChI=1S/C6H11N5O/c1-4-5(11-12-10-4)3-9-6(7)8-2/h3H2,1-2H3,(H3,7,8,9)
InChIKeyANGBRFUBQZSQML-UHFFFAOYSA-N
XLogP-0.59
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]guanidine (CID 131102017) is 2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]guanidine is C/N=C(\N)NCc1nonc1C.
What is the InChIKey of 2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]guanidine?
The InChIKey is ANGBRFUBQZSQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-4-5(11-12-10-4)3-9-6(7)8-2/h3H2,1-2H3,(H3,7,8,9).
What are the key properties of 2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]guanidine?
2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]guanidine has a molecular weight of 169.19 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]guanidine is sourced from PubChem (CID 131102017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).