lithium tetraazidoboranuide

BLiN12 — CID 73293469

IUPAClithium tetraazidoboranuide
SMILES[Li+].[N-]=[N+]=N[B-](N=[N+]=[N-])(N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/BN12.Li/c2-10-6-1(7-11-3,8-12-4)9-13-5;/q-1;+1
InChIKeyMGDTYFOQHPFXPB-UHFFFAOYSA-N
MW185.84 g/mol
LogP-0.33
Rot. Bonds4

About lithium tetraazidoboranuide

lithium tetraazidoboranuide (PubChem CID 73293469) has the molecular formula BLiN12 and a molecular weight of 185.84 g/mol. Its IUPAC name is lithium tetraazidoboranuide.

Molecular Properties

Compound Namelithium tetraazidoboranuide
PubChem CID73293469
Molecular FormulaBLiN12
Molecular Weight185.84 g/mol
Exact Mass186.06
IUPAC Namelithium tetraazidoboranuide
SMILES[Li+].[N-]=[N+]=N[B-](N=[N+]=[N-])(N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/BN12.Li/c2-10-6-1(7-11-3,8-12-4)9-13-5;/q-1;+1
InChIKeyMGDTYFOQHPFXPB-UHFFFAOYSA-N
XLogP-0.33
TPSA195.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.84
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

sulfuryl diazide
CID 15191028
4-azidobenzenesulfonamide
CID 3558590
azidoethane;methanesulfonic acid
CID 123670862
azido N-diazosulfamate
CID 18945546
CID 175225659
CID 175225659
azido-λ2-plumbane;copper
CID 175411368
2-azidoethanesulfonamide;hydrofluoride
CID 174848166
ethoxyethane;sulfuryl diazide
CID 174776903
O-azidosulfonyl methanethioate
CID 135223066
CID 162284017
CID 162284017
(4-azidophenyl)methanesulfonyl fluoride
CID 125456256
azidosilyl hydrogen sulfate
CID 154422647

Frequently Asked Questions

What is the IUPAC name of lithium tetraazidoboranuide?
The IUPAC name of lithium tetraazidoboranuide (CID 73293469) is lithium tetraazidoboranuide.
What is the SMILES notation for lithium tetraazidoboranuide?
The canonical SMILES for lithium tetraazidoboranuide is [Li+].[N-]=[N+]=N[B-](N=[N+]=[N-])(N=[N+]=[N-])N=[N+]=[N-].
What is the InChIKey of lithium tetraazidoboranuide?
The InChIKey is MGDTYFOQHPFXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/BN12.Li/c2-10-6-1(7-11-3,8-12-4)9-13-5;/q-1;+1.
What are the key properties of lithium tetraazidoboranuide?
lithium tetraazidoboranuide has a molecular weight of 185.84 g/mol, XLogP of -0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tetraazidoboranuide is sourced from PubChem (CID 73293469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).