N'-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)propanimidamide

C11H13N5O — CID 55117921

IUPACN'-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)propanimidamide
SMILESN/C(CC(c1ccccc1)n1cncn1)=N\O
InChIInChI=1S/C11H13N5O/c12-11(15-17)6-10(16-8-13-7-14-16)9-4-2-1-3-5-9/h1-5,7-8,10,17H,6H2,(H2,12,15)
InChIKeyJFZOQDODKJBSHH-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.00
Rot. Bonds4

About N'-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)propanimidamide

N'-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)propanimidamide (PubChem CID 55117921) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N'-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)propanimidamide
PubChem CID55117921
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN'-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)propanimidamide
SMILESN/C(CC(c1ccccc1)n1cncn1)=N\O
InChIInChI=1S/C11H13N5O/c12-11(15-17)6-10(16-8-13-7-14-16)9-4-2-1-3-5-9/h1-5,7-8,10,17H,6H2,(H2,12,15)
InChIKeyJFZOQDODKJBSHH-UHFFFAOYSA-N
XLogP1.00
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)propanimidamide (CID 55117921) is N'-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)propanimidamide is N/C(CC(c1ccccc1)n1cncn1)=N\O.
What is the InChIKey of N'-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)propanimidamide?
The InChIKey is JFZOQDODKJBSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-11(15-17)6-10(16-8-13-7-14-16)9-4-2-1-3-5-9/h1-5,7-8,10,17H,6H2,(H2,12,15).
What are the key properties of N'-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)propanimidamide?
N'-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)propanimidamide has a molecular weight of 231.26 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)propanimidamide is sourced from PubChem (CID 55117921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).