[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-amine

C4H4N6 — CID 170774084

IUPAC[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-amine
SMILESNc1cn2ncnc2nn1
InChIInChI=1S/C4H4N6/c5-3-1-10-4(9-8-3)6-2-7-10/h1-2H,5H2
InChIKeyCVOYPVUUZWHSHC-UHFFFAOYSA-N
MW136.12 g/mol
LogP-0.90
Rot. Bonds

About [1,2,4]triazolo[5,1-c][1,2,4]triazin-3-amine

[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-amine (PubChem CID 170774084) has the molecular formula C4H4N6 and a molecular weight of 136.12 g/mol. Its IUPAC name is [1,2,4]triazolo[5,1-c][1,2,4]triazin-3-amine.

Molecular Properties

Compound Name[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-amine
PubChem CID170774084
Molecular FormulaC4H4N6
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-amine
SMILESNc1cn2ncnc2nn1
InChIInChI=1S/C4H4N6/c5-3-1-10-4(9-8-3)6-2-7-10/h1-2H,5H2
InChIKeyCVOYPVUUZWHSHC-UHFFFAOYSA-N
XLogP-0.90
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[5,1-c][1,2,4]triazin-3-amine?
The IUPAC name of [1,2,4]triazolo[5,1-c][1,2,4]triazin-3-amine (CID 170774084) is [1,2,4]triazolo[5,1-c][1,2,4]triazin-3-amine.
What is the SMILES notation for [1,2,4]triazolo[5,1-c][1,2,4]triazin-3-amine?
The canonical SMILES for [1,2,4]triazolo[5,1-c][1,2,4]triazin-3-amine is Nc1cn2ncnc2nn1.
What is the InChIKey of [1,2,4]triazolo[5,1-c][1,2,4]triazin-3-amine?
The InChIKey is CVOYPVUUZWHSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N6/c5-3-1-10-4(9-8-3)6-2-7-10/h1-2H,5H2.
What are the key properties of [1,2,4]triazolo[5,1-c][1,2,4]triazin-3-amine?
[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-amine has a molecular weight of 136.12 g/mol, XLogP of -0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[5,1-c][1,2,4]triazin-3-amine is sourced from PubChem (CID 170774084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).