2-hydrazinyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

C4H7N9 — CID 170854691

IUPAC2-hydrazinyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESNNc1nc2nc(N)nc(N)n2n1
InChIInChI=1S/C4H7N9/c5-1-8-2(6)13-4(9-1)10-3(11-7)12-13/h7H2,(H5,5,6,8,9,10,11,12)
InChIKeyGBQJXQNMBOLRQO-UHFFFAOYSA-N
MW181.16 g/mol
LogP-2.03
Rot. Bonds1

About 2-hydrazinyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

2-hydrazinyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (PubChem CID 170854691) has the molecular formula C4H7N9 and a molecular weight of 181.16 g/mol. Its IUPAC name is 2-hydrazinyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.

Molecular Properties

Compound Name2-hydrazinyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
PubChem CID170854691
Molecular FormulaC4H7N9
Molecular Weight181.16 g/mol
Exact Mass181.08
IUPAC Name2-hydrazinyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESNNc1nc2nc(N)nc(N)n2n1
InChIInChI=1S/C4H7N9/c5-1-8-2(6)13-4(9-1)10-3(11-7)12-13/h7H2,(H5,5,6,8,9,10,11,12)
InChIKeyGBQJXQNMBOLRQO-UHFFFAOYSA-N
XLogP-2.03
TPSA146.06 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 2-hydrazinyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The IUPAC name of 2-hydrazinyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (CID 170854691) is 2-hydrazinyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.
What is the SMILES notation for 2-hydrazinyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The canonical SMILES for 2-hydrazinyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is NNc1nc2nc(N)nc(N)n2n1.
What is the InChIKey of 2-hydrazinyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The InChIKey is GBQJXQNMBOLRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N9/c5-1-8-2(6)13-4(9-1)10-3(11-7)12-13/h7H2,(H5,5,6,8,9,10,11,12).
What are the key properties of 2-hydrazinyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
2-hydrazinyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine has a molecular weight of 181.16 g/mol, XLogP of -2.03, 1 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is sourced from PubChem (CID 170854691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).