[(3-diazonioimino-1,4-dioxonaphthalen-2-ylidene)hydrazinylidene]azanide

C10H4N6O2 — CID 4663752

IUPAC[(3-diazonioimino-1,4-dioxonaphthalen-2-ylidene)hydrazinylidene]azanide
SMILESN#[N+]N=c1c(=NN=[N-])c(=O)c2ccccc2c1=O
InChIInChI=1S/C10H4N6O2/c11-15-13-7-8(14-16-12)10(18)6-4-2-1-3-5(6)9(7)17/h1-4H
InChIKeyKPZYEIVQVXCDPN-UHFFFAOYSA-N
MW240.18 g/mol
LogP-0.06
Rot. Bonds1

About [(3-diazonioimino-1,4-dioxonaphthalen-2-ylidene)hydrazinylidene]azanide

[(3-diazonioimino-1,4-dioxonaphthalen-2-ylidene)hydrazinylidene]azanide (PubChem CID 4663752) has the molecular formula C10H4N6O2 and a molecular weight of 240.18 g/mol. Its IUPAC name is [(3-diazonioimino-1,4-dioxonaphthalen-2-ylidene)hydrazinylidene]azanide.

Molecular Properties

Compound Name[(3-diazonioimino-1,4-dioxonaphthalen-2-ylidene)hydrazinylidene]azanide
PubChem CID4663752
Molecular FormulaC10H4N6O2
Molecular Weight240.18 g/mol
Exact Mass240.04
IUPAC Name[(3-diazonioimino-1,4-dioxonaphthalen-2-ylidene)hydrazinylidene]azanide
SMILESN#[N+]N=c1c(=NN=[N-])c(=O)c2ccccc2c1=O
InChIInChI=1S/C10H4N6O2/c11-15-13-7-8(14-16-12)10(18)6-4-2-1-3-5(6)9(7)17/h1-4H
InChIKeyKPZYEIVQVXCDPN-UHFFFAOYSA-N
XLogP-0.06
TPSA121.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(3-diazonioimino-1,4-dioxonaphthalen-2-ylidene)hydrazinylidene]azanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3-diazonioimino-1,4-dioxonaphthalen-2-ylidene)hydrazinylidene]azanide?
The IUPAC name of [(3-diazonioimino-1,4-dioxonaphthalen-2-ylidene)hydrazinylidene]azanide (CID 4663752) is [(3-diazonioimino-1,4-dioxonaphthalen-2-ylidene)hydrazinylidene]azanide.
What is the SMILES notation for [(3-diazonioimino-1,4-dioxonaphthalen-2-ylidene)hydrazinylidene]azanide?
The canonical SMILES for [(3-diazonioimino-1,4-dioxonaphthalen-2-ylidene)hydrazinylidene]azanide is N#[N+]N=c1c(=NN=[N-])c(=O)c2ccccc2c1=O.
What is the InChIKey of [(3-diazonioimino-1,4-dioxonaphthalen-2-ylidene)hydrazinylidene]azanide?
The InChIKey is KPZYEIVQVXCDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N6O2/c11-15-13-7-8(14-16-12)10(18)6-4-2-1-3-5(6)9(7)17/h1-4H.
What are the key properties of [(3-diazonioimino-1,4-dioxonaphthalen-2-ylidene)hydrazinylidene]azanide?
[(3-diazonioimino-1,4-dioxonaphthalen-2-ylidene)hydrazinylidene]azanide has a molecular weight of 240.18 g/mol, XLogP of -0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-diazonioimino-1,4-dioxonaphthalen-2-ylidene)hydrazinylidene]azanide is sourced from PubChem (CID 4663752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).