(4-azaniumylidenecyclohexa-2,5-dien-1-ylidene)azanide

C6H6N2 — CID 59061598

IUPAC(4-azaniumylidenecyclohexa-2,5-dien-1-ylidene)azanide
SMILES[N-]=C1C=CC(=[NH2+])C=C1
InChIInChI=1S/C6H5N2/c7-5-1-2-6(8)4-3-5/h1-4,7H/q-1/p+1
InChIKeyHWPQWCPUKDLOOQ-UHFFFAOYSA-O
MW106.13 g/mol
LogP-0.68
Rot. Bonds

About (4-azaniumylidenecyclohexa-2,5-dien-1-ylidene)azanide

(4-azaniumylidenecyclohexa-2,5-dien-1-ylidene)azanide (PubChem CID 59061598) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is (4-azaniumylidenecyclohexa-2,5-dien-1-ylidene)azanide.

Molecular Properties

Compound Name(4-azaniumylidenecyclohexa-2,5-dien-1-ylidene)azanide
PubChem CID59061598
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name(4-azaniumylidenecyclohexa-2,5-dien-1-ylidene)azanide
SMILES[N-]=C1C=CC(=[NH2+])C=C1
InChIInChI=1S/C6H5N2/c7-5-1-2-6(8)4-3-5/h1-4,7H/q-1/p+1
InChIKeyHWPQWCPUKDLOOQ-UHFFFAOYSA-O
XLogP-0.68
TPSA47.89 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-azaniumylidenecyclohexa-2,5-dien-1-ylidene)azanide?
The IUPAC name of (4-azaniumylidenecyclohexa-2,5-dien-1-ylidene)azanide (CID 59061598) is (4-azaniumylidenecyclohexa-2,5-dien-1-ylidene)azanide.
What is the SMILES notation for (4-azaniumylidenecyclohexa-2,5-dien-1-ylidene)azanide?
The canonical SMILES for (4-azaniumylidenecyclohexa-2,5-dien-1-ylidene)azanide is [N-]=C1C=CC(=[NH2+])C=C1.
What is the InChIKey of (4-azaniumylidenecyclohexa-2,5-dien-1-ylidene)azanide?
The InChIKey is HWPQWCPUKDLOOQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5N2/c7-5-1-2-6(8)4-3-5/h1-4,7H/q-1/p+1.
What are the key properties of (4-azaniumylidenecyclohexa-2,5-dien-1-ylidene)azanide?
(4-azaniumylidenecyclohexa-2,5-dien-1-ylidene)azanide has a molecular weight of 106.13 g/mol, XLogP of -0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azaniumylidenecyclohexa-2,5-dien-1-ylidene)azanide is sourced from PubChem (CID 59061598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).