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

C10H11N7O2 — CID 168605495

IUPAC1-(diaminomethylidene)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(-c2noc(=O)[nH]2)cc1
InChIInChI=1S/C10H11N7O2/c11-8(12)16-9(13)14-6-3-1-5(2-4-6)7-15-10(18)19-17-7/h1-4H,(H,15,17,18)(H6,11,12,13,14,16)
InChIKeyXVBPNNBOUONXRO-UHFFFAOYSA-N
MW261.25 g/mol
LogP-0.75
Rot. Bonds2

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

1-(diaminomethylidene)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]guanidine (PubChem CID 168605495) has the molecular formula C10H11N7O2 and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]guanidine
PubChem CID168605495
Molecular FormulaC10H11N7O2
Molecular Weight261.25 g/mol
Exact Mass261.10
IUPAC Name1-(diaminomethylidene)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(-c2noc(=O)[nH]2)cc1
InChIInChI=1S/C10H11N7O2/c11-8(12)16-9(13)14-6-3-1-5(2-4-6)7-15-10(18)19-17-7/h1-4H,(H,15,17,18)(H6,11,12,13,14,16)
InChIKeyXVBPNNBOUONXRO-UHFFFAOYSA-N
XLogP-0.75
TPSA161.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
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-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]guanidine (CID 168605495) is 1-(diaminomethylidene)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]guanidine is NC(N)=N/C(N)=N/c1ccc(-c2noc(=O)[nH]2)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]guanidine?
The InChIKey is XVBPNNBOUONXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O2/c11-8(12)16-9(13)14-6-3-1-5(2-4-6)7-15-10(18)19-17-7/h1-4H,(H,15,17,18)(H6,11,12,13,14,16).
What are the key properties of 1-(diaminomethylidene)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]guanidine?
1-(diaminomethylidene)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]guanidine has a molecular weight of 261.25 g/mol, XLogP of -0.75, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]guanidine is sourced from PubChem (CID 168605495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).