[(E)-[amino-[(2,3-dicyano-1H-indeno[2,3-b]pyrazin-9-yl)diazenyl]methylidene]amino]-hydroxy-oxoazanium

C14H8N9O2+ — CID 135666314

IUPAC[(E)-[amino-[(2,3-dicyano-1H-indeno[2,3-b]pyrazin-9-yl)diazenyl]methylidene]amino]-hydroxy-oxoazanium
SMILESN#Cc1nc2c3ccccc3c(/N=N/C(N)=N/[N+](=O)O)c-2[nH]c1C#N
InChIInChI=1S/C14H8N9O2/c15-5-9-10(6-16)19-13-11(18-9)7-3-1-2-4-8(7)12(13)20-21-14(17)22-23(24)25/h1-4,19H,(H2,17,22)(H,24,25)/q+1/b21-20+
InChIKeyURAPNGIIGCYWPC-QZQOTICOSA-N
MW334.28 g/mol
LogP1.89
Rot. Bonds2

About [(E)-[amino-[(2,3-dicyano-1H-indeno[2,3-b]pyrazin-9-yl)diazenyl]methylidene]amino]-hydroxy-oxoazanium

[(E)-[amino-[(2,3-dicyano-1H-indeno[2,3-b]pyrazin-9-yl)diazenyl]methylidene]amino]-hydroxy-oxoazanium (PubChem CID 135666314) has the molecular formula C14H8N9O2+ and a molecular weight of 334.28 g/mol. Its IUPAC name is [(E)-[amino-[(2,3-dicyano-1H-indeno[2,3-b]pyrazin-9-yl)diazenyl]methylidene]amino]-hydroxy-oxoazanium.

Molecular Properties

Compound Name[(E)-[amino-[(2,3-dicyano-1H-indeno[2,3-b]pyrazin-9-yl)diazenyl]methylidene]amino]-hydroxy-oxoazanium
PubChem CID135666314
Molecular FormulaC14H8N9O2+
Molecular Weight334.28 g/mol
Exact Mass334.08
IUPAC Name[(E)-[amino-[(2,3-dicyano-1H-indeno[2,3-b]pyrazin-9-yl)diazenyl]methylidene]amino]-hydroxy-oxoazanium
SMILESN#Cc1nc2c3ccccc3c(/N=N/C(N)=N/[N+](=O)O)c-2[nH]c1C#N
InChIInChI=1S/C14H8N9O2/c15-5-9-10(6-16)19-13-11(18-9)7-3-1-2-4-8(7)12(13)20-21-14(17)22-23(24)25/h1-4,19H,(H2,17,22)(H,24,25)/q+1/b21-20+
InChIKeyURAPNGIIGCYWPC-QZQOTICOSA-N
XLogP1.89
TPSA179.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-[amino-[(2,3-dicyano-1H-indeno[2,3-b]pyrazin-9-yl)diazenyl]methylidene]amino]-hydroxy-oxoazanium?
The IUPAC name of [(E)-[amino-[(2,3-dicyano-1H-indeno[2,3-b]pyrazin-9-yl)diazenyl]methylidene]amino]-hydroxy-oxoazanium (CID 135666314) is [(E)-[amino-[(2,3-dicyano-1H-indeno[2,3-b]pyrazin-9-yl)diazenyl]methylidene]amino]-hydroxy-oxoazanium.
What is the SMILES notation for [(E)-[amino-[(2,3-dicyano-1H-indeno[2,3-b]pyrazin-9-yl)diazenyl]methylidene]amino]-hydroxy-oxoazanium?
The canonical SMILES for [(E)-[amino-[(2,3-dicyano-1H-indeno[2,3-b]pyrazin-9-yl)diazenyl]methylidene]amino]-hydroxy-oxoazanium is N#Cc1nc2c3ccccc3c(/N=N/C(N)=N/[N+](=O)O)c-2[nH]c1C#N.
What is the InChIKey of [(E)-[amino-[(2,3-dicyano-1H-indeno[2,3-b]pyrazin-9-yl)diazenyl]methylidene]amino]-hydroxy-oxoazanium?
The InChIKey is URAPNGIIGCYWPC-QZQOTICOSA-N. The full InChI is InChI=1S/C14H8N9O2/c15-5-9-10(6-16)19-13-11(18-9)7-3-1-2-4-8(7)12(13)20-21-14(17)22-23(24)25/h1-4,19H,(H2,17,22)(H,24,25)/q+1/b21-20+.
What are the key properties of [(E)-[amino-[(2,3-dicyano-1H-indeno[2,3-b]pyrazin-9-yl)diazenyl]methylidene]amino]-hydroxy-oxoazanium?
[(E)-[amino-[(2,3-dicyano-1H-indeno[2,3-b]pyrazin-9-yl)diazenyl]methylidene]amino]-hydroxy-oxoazanium has a molecular weight of 334.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[amino-[(2,3-dicyano-1H-indeno[2,3-b]pyrazin-9-yl)diazenyl]methylidene]amino]-hydroxy-oxoazanium is sourced from PubChem (CID 135666314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).