dipotassium;5-(5-amino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine

C4H4K2N8 — CID 90480886

IUPACdipotassium;5-(5-amino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine
SMILESNc1nnc(-c2nnc(N)[n-]2)[n-]1.[K+].[K+]
InChIInChI=1S/C4H4N8.2K/c5-3-7-1(9-11-3)2-8-4(6)12-10-2;;/h(H4-2,5,6,7,8,9,10,11,12);;/q-2;2*+1
InChIKeyZNTAFNDAHYNQMD-UHFFFAOYSA-N
MW242.33 g/mol
LogP-7.98
Rot. Bonds1

About dipotassium;5-(5-amino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine

dipotassium;5-(5-amino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine (PubChem CID 90480886) has the molecular formula C4H4K2N8 and a molecular weight of 242.33 g/mol. Its IUPAC name is dipotassium;5-(5-amino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine.

Molecular Properties

Compound Namedipotassium;5-(5-amino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine
PubChem CID90480886
Molecular FormulaC4H4K2N8
Molecular Weight242.33 g/mol
Exact Mass241.98
IUPAC Namedipotassium;5-(5-amino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine
SMILESNc1nnc(-c2nnc(N)[n-]2)[n-]1.[K+].[K+]
InChIInChI=1S/C4H4N8.2K/c5-3-7-1(9-11-3)2-8-4(6)12-10-2;;/h(H4-2,5,6,7,8,9,10,11,12);;/q-2;2*+1
InChIKeyZNTAFNDAHYNQMD-UHFFFAOYSA-N
XLogP-7.98
TPSA131.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 5-7.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dipotassium;5-(5-amino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine?
The IUPAC name of dipotassium;5-(5-amino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine (CID 90480886) is dipotassium;5-(5-amino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine.
What is the SMILES notation for dipotassium;5-(5-amino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine?
The canonical SMILES for dipotassium;5-(5-amino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine is Nc1nnc(-c2nnc(N)[n-]2)[n-]1.[K+].[K+].
What is the InChIKey of dipotassium;5-(5-amino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine?
The InChIKey is ZNTAFNDAHYNQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N8.2K/c5-3-7-1(9-11-3)2-8-4(6)12-10-2;;/h(H4-2,5,6,7,8,9,10,11,12);;/q-2;2*+1.
What are the key properties of dipotassium;5-(5-amino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine?
dipotassium;5-(5-amino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine has a molecular weight of 242.33 g/mol, XLogP of -7.98, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;5-(5-amino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine is sourced from PubChem (CID 90480886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).