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

C11H13N7O — CID 168601956

IUPAC1-(diaminomethylidene)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]guanidine
SMILESCc1noc(-c2ccccc2/N=C(\N)N=C(N)N)n1
InChIInChI=1S/C11H13N7O/c1-6-15-9(19-18-6)7-4-2-3-5-8(7)16-11(14)17-10(12)13/h2-5H,1H3,(H6,12,13,14,16,17)
InChIKeyLVXSWCIWMXCXJT-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.26
Rot. Bonds2

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

1-(diaminomethylidene)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]guanidine (PubChem CID 168601956) has the molecular formula C11H13N7O and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]guanidine
PubChem CID168601956
Molecular FormulaC11H13N7O
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name1-(diaminomethylidene)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]guanidine
SMILESCc1noc(-c2ccccc2/N=C(\N)N=C(N)N)n1
InChIInChI=1S/C11H13N7O/c1-6-15-9(19-18-6)7-4-2-3-5-8(7)16-11(14)17-10(12)13/h2-5H,1H3,(H6,12,13,14,16,17)
InChIKeyLVXSWCIWMXCXJT-UHFFFAOYSA-N
XLogP0.26
TPSA141.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.26
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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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]guanidine (CID 168601956) is 1-(diaminomethylidene)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]guanidine is Cc1noc(-c2ccccc2/N=C(\N)N=C(N)N)n1.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]guanidine?
The InChIKey is LVXSWCIWMXCXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O/c1-6-15-9(19-18-6)7-4-2-3-5-8(7)16-11(14)17-10(12)13/h2-5H,1H3,(H6,12,13,14,16,17).
What are the key properties of 1-(diaminomethylidene)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]guanidine?
1-(diaminomethylidene)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]guanidine has a molecular weight of 259.27 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]guanidine is sourced from PubChem (CID 168601956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).