5-(5-imino-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine

C4H4N8 — CID 139291528

IUPAC5-(5-imino-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine
SMILES[H]/N=C1\N=NC(c2nc(N)n[nH]2)=N1
InChIInChI=1S/C4H4N8/c5-3-7-1(9-11-3)2-8-4(6)12-10-2/h5H,(H3,6,8,10,12)/b5-3-
InChIKeyIQAVKJVLCSYRNJ-HYXAFXHYSA-N
MW164.13 g/mol
LogP-0.47
Rot. Bonds1

About 5-(5-imino-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine

5-(5-imino-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 139291528) has the molecular formula C4H4N8 and a molecular weight of 164.13 g/mol. Its IUPAC name is 5-(5-imino-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(5-imino-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine
PubChem CID139291528
Molecular FormulaC4H4N8
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name5-(5-imino-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine
SMILES[H]/N=C1\N=NC(c2nc(N)n[nH]2)=N1
InChIInChI=1S/C4H4N8/c5-3-7-1(9-11-3)2-8-4(6)12-10-2/h5H,(H3,6,8,10,12)/b5-3-
InChIKeyIQAVKJVLCSYRNJ-HYXAFXHYSA-N
XLogP-0.47
TPSA128.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 5-(5-imino-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(5-imino-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine (CID 139291528) is 5-(5-imino-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(5-imino-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(5-imino-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine is [H]/N=C1\N=NC(c2nc(N)n[nH]2)=N1.
What is the InChIKey of 5-(5-imino-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is IQAVKJVLCSYRNJ-HYXAFXHYSA-N. The full InChI is InChI=1S/C4H4N8/c5-3-7-1(9-11-3)2-8-4(6)12-10-2/h5H,(H3,6,8,10,12)/b5-3-.
What are the key properties of 5-(5-imino-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine?
5-(5-imino-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 164.13 g/mol, XLogP of -0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-imino-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 139291528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).