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

C5H9N5O — CID 76914958

IUPACN'-hydroxy-2-(1,2,4-triazol-1-yl)propanimidamide
SMILESCC(C(N)=NO)n1cncn1
InChIInChI=1S/C5H9N5O/c1-4(5(6)9-11)10-3-7-2-8-10/h2-4,11H,1H3,(H2,6,9)
InChIKeyGOMUUMNVAYBJHM-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.41
Rot. Bonds2

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

N'-hydroxy-2-(1,2,4-triazol-1-yl)propanimidamide (PubChem CID 76914958) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is N'-hydroxy-2-(1,2,4-triazol-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1,2,4-triazol-1-yl)propanimidamide
PubChem CID76914958
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC NameN'-hydroxy-2-(1,2,4-triazol-1-yl)propanimidamide
SMILESCC(C(N)=NO)n1cncn1
InChIInChI=1S/C5H9N5O/c1-4(5(6)9-11)10-3-7-2-8-10/h2-4,11H,1H3,(H2,6,9)
InChIKeyGOMUUMNVAYBJHM-UHFFFAOYSA-N
XLogP-0.41
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.41
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-2-(1,2,4-triazol-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-2-(1,2,4-triazol-1-yl)propanimidamide (CID 76914958) is N'-hydroxy-2-(1,2,4-triazol-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(1,2,4-triazol-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(1,2,4-triazol-1-yl)propanimidamide is CC(C(N)=NO)n1cncn1.
What is the InChIKey of N'-hydroxy-2-(1,2,4-triazol-1-yl)propanimidamide?
The InChIKey is GOMUUMNVAYBJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-4(5(6)9-11)10-3-7-2-8-10/h2-4,11H,1H3,(H2,6,9).
What are the key properties of N'-hydroxy-2-(1,2,4-triazol-1-yl)propanimidamide?
N'-hydroxy-2-(1,2,4-triazol-1-yl)propanimidamide has a molecular weight of 155.16 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1,2,4-triazol-1-yl)propanimidamide is sourced from PubChem (CID 76914958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).