2-(triazol-2-yl)ethanimidamide

C4H7N5 — CID 136575903

IUPAC2-(triazol-2-yl)ethanimidamide
SMILES[H]/N=C(\N)Cn1nccn1
InChIInChI=1S/C4H7N5/c5-4(6)3-9-7-1-2-8-9/h1-2H,3H2,(H3,5,6)
InChIKeyWEMICONSGIKHSU-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.79
Rot. Bonds2

About 2-(triazol-2-yl)ethanimidamide

2-(triazol-2-yl)ethanimidamide (PubChem CID 136575903) has the molecular formula C4H7N5 and a molecular weight of 125.13 g/mol. Its IUPAC name is 2-(triazol-2-yl)ethanimidamide.

Molecular Properties

Compound Name2-(triazol-2-yl)ethanimidamide
PubChem CID136575903
Molecular FormulaC4H7N5
Molecular Weight125.13 g/mol
Exact Mass125.07
IUPAC Name2-(triazol-2-yl)ethanimidamide
SMILES[H]/N=C(\N)Cn1nccn1
InChIInChI=1S/C4H7N5/c5-4(6)3-9-7-1-2-8-9/h1-2H,3H2,(H3,5,6)
InChIKeyWEMICONSGIKHSU-UHFFFAOYSA-N
XLogP-0.79
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
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 2-(triazol-2-yl)ethanimidamide?
The IUPAC name of 2-(triazol-2-yl)ethanimidamide (CID 136575903) is 2-(triazol-2-yl)ethanimidamide.
What is the SMILES notation for 2-(triazol-2-yl)ethanimidamide?
The canonical SMILES for 2-(triazol-2-yl)ethanimidamide is [H]/N=C(\N)Cn1nccn1.
What is the InChIKey of 2-(triazol-2-yl)ethanimidamide?
The InChIKey is WEMICONSGIKHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5/c5-4(6)3-9-7-1-2-8-9/h1-2H,3H2,(H3,5,6).
What are the key properties of 2-(triazol-2-yl)ethanimidamide?
2-(triazol-2-yl)ethanimidamide has a molecular weight of 125.13 g/mol, XLogP of -0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-2-yl)ethanimidamide is sourced from PubChem (CID 136575903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).