(Z)-oxido-oxidoimino-[11-[(Z)-oxido(oxidoimino)azaniumyl]-1,4,8,11-tetrazacyclotetradec-1-yl]azanium

C10H22N8O4-2 — CID 135967006

IUPAC(Z)-oxido-oxidoimino-[11-[(Z)-oxido(oxidoimino)azaniumyl]-1,4,8,11-tetrazacyclotetradec-1-yl]azanium
SMILES[O-]/N=[N+](\[O-])N1CCCN(/[N+]([O-])=N/[O-])CCNCCCNCC1
InChIInChI=1S/C10H24N8O4/c19-13-17(21)15-7-2-8-16(18(22)14-20)10-6-12-4-1-3-11-5-9-15/h11-12,19-20H,1-10H2/p-2/b17-13-,18-14-
InChIKeyORQPKOVMFKJKJE-JTFWXBGUSA-L
MW318.34 g/mol
LogP-0.69
Rot. Bonds2

About (Z)-oxido-oxidoimino-[11-[(Z)-oxido(oxidoimino)azaniumyl]-1,4,8,11-tetrazacyclotetradec-1-yl]azanium

(Z)-oxido-oxidoimino-[11-[(Z)-oxido(oxidoimino)azaniumyl]-1,4,8,11-tetrazacyclotetradec-1-yl]azanium (PubChem CID 135967006) has the molecular formula C10H22N8O4-2 and a molecular weight of 318.34 g/mol. Its IUPAC name is (Z)-oxido-oxidoimino-[11-[(Z)-oxido(oxidoimino)azaniumyl]-1,4,8,11-tetrazacyclotetradec-1-yl]azanium.

Molecular Properties

Compound Name(Z)-oxido-oxidoimino-[11-[(Z)-oxido(oxidoimino)azaniumyl]-1,4,8,11-tetrazacyclotetradec-1-yl]azanium
PubChem CID135967006
Molecular FormulaC10H22N8O4-2
Molecular Weight318.34 g/mol
Exact Mass318.18
IUPAC Name(Z)-oxido-oxidoimino-[11-[(Z)-oxido(oxidoimino)azaniumyl]-1,4,8,11-tetrazacyclotetradec-1-yl]azanium
SMILES[O-]/N=[N+](\[O-])N1CCCN(/[N+]([O-])=N/[O-])CCNCCCNCC1
InChIInChI=1S/C10H24N8O4/c19-13-17(21)15-7-2-8-16(18(22)14-20)10-6-12-4-1-3-11-5-9-15/h11-12,19-20H,1-10H2/p-2/b17-13-,18-14-
InChIKeyORQPKOVMFKJKJE-JTFWXBGUSA-L
XLogP-0.69
TPSA153.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-oxido-oxidoimino-[11-[(Z)-oxido(oxidoimino)azaniumyl]-1,4,8,11-tetrazacyclotetradec-1-yl]azanium?
The IUPAC name of (Z)-oxido-oxidoimino-[11-[(Z)-oxido(oxidoimino)azaniumyl]-1,4,8,11-tetrazacyclotetradec-1-yl]azanium (CID 135967006) is (Z)-oxido-oxidoimino-[11-[(Z)-oxido(oxidoimino)azaniumyl]-1,4,8,11-tetrazacyclotetradec-1-yl]azanium.
What is the SMILES notation for (Z)-oxido-oxidoimino-[11-[(Z)-oxido(oxidoimino)azaniumyl]-1,4,8,11-tetrazacyclotetradec-1-yl]azanium?
The canonical SMILES for (Z)-oxido-oxidoimino-[11-[(Z)-oxido(oxidoimino)azaniumyl]-1,4,8,11-tetrazacyclotetradec-1-yl]azanium is [O-]/N=[N+](\[O-])N1CCCN(/[N+]([O-])=N/[O-])CCNCCCNCC1.
What is the InChIKey of (Z)-oxido-oxidoimino-[11-[(Z)-oxido(oxidoimino)azaniumyl]-1,4,8,11-tetrazacyclotetradec-1-yl]azanium?
The InChIKey is ORQPKOVMFKJKJE-JTFWXBGUSA-L. The full InChI is InChI=1S/C10H24N8O4/c19-13-17(21)15-7-2-8-16(18(22)14-20)10-6-12-4-1-3-11-5-9-15/h11-12,19-20H,1-10H2/p-2/b17-13-,18-14-.
What are the key properties of (Z)-oxido-oxidoimino-[11-[(Z)-oxido(oxidoimino)azaniumyl]-1,4,8,11-tetrazacyclotetradec-1-yl]azanium?
(Z)-oxido-oxidoimino-[11-[(Z)-oxido(oxidoimino)azaniumyl]-1,4,8,11-tetrazacyclotetradec-1-yl]azanium has a molecular weight of 318.34 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-oxido-oxidoimino-[11-[(Z)-oxido(oxidoimino)azaniumyl]-1,4,8,11-tetrazacyclotetradec-1-yl]azanium is sourced from PubChem (CID 135967006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).