amino(carbamimidoyl)azanium;3,6-dinitropyrazolo[4,3-c]pyrazole

C5H7N10O4+ — CID 21299408

IUPACamino(carbamimidoyl)azanium;3,6-dinitropyrazolo[4,3-c]pyrazole
SMILESO=[N+]([O-])C1=C2N=NC([N+](=O)[O-])=C2N=N1.[H]/N=C(\N)[NH2+]N
InChIInChI=1S/C4N6O4.CH6N4/c11-9(12)3-1-2(6-7-3)4(8-5-1)10(13)14;2-1(3)5-4/h;4H2,(H4,2,3,5)/p+1
InChIKeyJSUAQTGPUGEXQW-UHFFFAOYSA-O
MW271.18 g/mol
LogP-1.87
Rot. Bonds2

About amino(carbamimidoyl)azanium;3,6-dinitropyrazolo[4,3-c]pyrazole

amino(carbamimidoyl)azanium;3,6-dinitropyrazolo[4,3-c]pyrazole (PubChem CID 21299408) has the molecular formula C5H7N10O4+ and a molecular weight of 271.18 g/mol. Its IUPAC name is amino(carbamimidoyl)azanium;3,6-dinitropyrazolo[4,3-c]pyrazole.

Molecular Properties

Compound Nameamino(carbamimidoyl)azanium;3,6-dinitropyrazolo[4,3-c]pyrazole
PubChem CID21299408
Molecular FormulaC5H7N10O4+
Molecular Weight271.18 g/mol
Exact Mass271.06
IUPAC Nameamino(carbamimidoyl)azanium;3,6-dinitropyrazolo[4,3-c]pyrazole
SMILESO=[N+]([O-])C1=C2N=NC([N+](=O)[O-])=C2N=N1.[H]/N=C(\N)[NH2+]N
InChIInChI=1S/C4N6O4.CH6N4/c11-9(12)3-1-2(6-7-3)4(8-5-1)10(13)14;2-1(3)5-4/h;4H2,(H4,2,3,5)/p+1
InChIKeyJSUAQTGPUGEXQW-UHFFFAOYSA-O
XLogP-1.87
TPSA228.22 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 amino(carbamimidoyl)azanium;3,6-dinitropyrazolo[4,3-c]pyrazole?
The IUPAC name of amino(carbamimidoyl)azanium;3,6-dinitropyrazolo[4,3-c]pyrazole (CID 21299408) is amino(carbamimidoyl)azanium;3,6-dinitropyrazolo[4,3-c]pyrazole.
What is the SMILES notation for amino(carbamimidoyl)azanium;3,6-dinitropyrazolo[4,3-c]pyrazole?
The canonical SMILES for amino(carbamimidoyl)azanium;3,6-dinitropyrazolo[4,3-c]pyrazole is O=[N+]([O-])C1=C2N=NC([N+](=O)[O-])=C2N=N1.[H]/N=C(\N)[NH2+]N.
What is the InChIKey of amino(carbamimidoyl)azanium;3,6-dinitropyrazolo[4,3-c]pyrazole?
The InChIKey is JSUAQTGPUGEXQW-UHFFFAOYSA-O. The full InChI is InChI=1S/C4N6O4.CH6N4/c11-9(12)3-1-2(6-7-3)4(8-5-1)10(13)14;2-1(3)5-4/h;4H2,(H4,2,3,5)/p+1.
What are the key properties of amino(carbamimidoyl)azanium;3,6-dinitropyrazolo[4,3-c]pyrazole?
amino(carbamimidoyl)azanium;3,6-dinitropyrazolo[4,3-c]pyrazole has a molecular weight of 271.18 g/mol, XLogP of -1.87, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for amino(carbamimidoyl)azanium;3,6-dinitropyrazolo[4,3-c]pyrazole is sourced from PubChem (CID 21299408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).