2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]phenol

C9H8N4O2 — CID 766083

IUPAC2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
SMILESNc1nonc1/N=C/c1ccccc1O
InChIInChI=1S/C9H8N4O2/c10-8-9(13-15-12-8)11-5-6-3-1-2-4-7(6)14/h1-5,14H,(H2,10,12)/b11-5+
InChIKeyQJUJBNHKYAGAIO-VZUCSPMQSA-N
MW204.19 g/mol
LogP1.11
Rot. Bonds2

About 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]phenol

2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]phenol (PubChem CID 766083) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
PubChem CID766083
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
SMILESNc1nonc1/N=C/c1ccccc1O
InChIInChI=1S/C9H8N4O2/c10-8-9(13-15-12-8)11-5-6-3-1-2-4-7(6)14/h1-5,14H,(H2,10,12)/b11-5+
InChIKeyQJUJBNHKYAGAIO-VZUCSPMQSA-N
XLogP1.11
TPSA97.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The IUPAC name of 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]phenol (CID 766083) is 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]phenol is Nc1nonc1/N=C/c1ccccc1O.
What is the InChIKey of 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The InChIKey is QJUJBNHKYAGAIO-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H8N4O2/c10-8-9(13-15-12-8)11-5-6-3-1-2-4-7(6)14/h1-5,14H,(H2,10,12)/b11-5+.
What are the key properties of 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]phenol has a molecular weight of 204.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]phenol is sourced from PubChem (CID 766083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).