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

C4H7N5O — CID 6285578

IUPACN'-hydroxy-2-(1,2,4-triazol-1-yl)ethanimidamide
SMILESN/C(Cn1cncn1)=N\O
InChIInChI=1S/C4H7N5O/c5-4(8-10)1-9-3-6-2-7-9/h2-3,10H,1H2,(H2,5,8)
InChIKeyXIVWQXRPIVXZRZ-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.98
Rot. Bonds2

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

N'-hydroxy-2-(1,2,4-triazol-1-yl)ethanimidamide (PubChem CID 6285578) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is N'-hydroxy-2-(1,2,4-triazol-1-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1,2,4-triazol-1-yl)ethanimidamide
PubChem CID6285578
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC NameN'-hydroxy-2-(1,2,4-triazol-1-yl)ethanimidamide
SMILESN/C(Cn1cncn1)=N\O
InChIInChI=1S/C4H7N5O/c5-4(8-10)1-9-3-6-2-7-9/h2-3,10H,1H2,(H2,5,8)
InChIKeyXIVWQXRPIVXZRZ-UHFFFAOYSA-N
XLogP-0.98
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.98
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)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(1,2,4-triazol-1-yl)ethanimidamide (CID 6285578) is N'-hydroxy-2-(1,2,4-triazol-1-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(1,2,4-triazol-1-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(1,2,4-triazol-1-yl)ethanimidamide is N/C(Cn1cncn1)=N\O.
What is the InChIKey of N'-hydroxy-2-(1,2,4-triazol-1-yl)ethanimidamide?
The InChIKey is XIVWQXRPIVXZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c5-4(8-10)1-9-3-6-2-7-9/h2-3,10H,1H2,(H2,5,8).
What are the key properties of N'-hydroxy-2-(1,2,4-triazol-1-yl)ethanimidamide?
N'-hydroxy-2-(1,2,4-triazol-1-yl)ethanimidamide has a molecular weight of 141.13 g/mol, XLogP of -0.98, 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)ethanimidamide is sourced from PubChem (CID 6285578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).