sodium;pentane;azide

C5H12N3Na — CID 175098930

IUPACsodium;pentane;azide
SMILESCCCCC.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C5H12.N3.Na/c1-3-5-4-2;1-3-2;/h3-5H2,1-2H3;;/q;-1;+1
InChIKeyYQHQKALYJDXIAP-UHFFFAOYSA-N
MW137.16 g/mol
LogP0.07
Rot. Bonds2

About sodium;pentane;azide

sodium;pentane;azide (PubChem CID 175098930) has the molecular formula C5H12N3Na and a molecular weight of 137.16 g/mol. Its IUPAC name is sodium;pentane;azide.

Molecular Properties

Compound Namesodium;pentane;azide
PubChem CID175098930
Molecular FormulaC5H12N3Na
Molecular Weight137.16 g/mol
Exact Mass137.09
IUPAC Namesodium;pentane;azide
SMILESCCCCC.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C5H12.N3.Na/c1-3-5-4-2;1-3-2;/h3-5H2,1-2H3;;/q;-1;+1
InChIKeyYQHQKALYJDXIAP-UHFFFAOYSA-N
XLogP0.07
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

sodium;tributyl(methyl)azanium;azide;hydrochloride
CID 173321866
copper;butylazanium;tetraazide
CID 88640537
CID 159411255
CID 159411255
hexadecakis(pentane);dihydrate
CID 173099119
alumane;pentane
CID 173125985
pentane;propane
CID 91422342
zinc pentane
CID 19065630
pentane;rhodium
CID 173105348
CID 157215984
CID 157215984
pentane;stannane
CID 173279416
methane;pentane;propane
CID 169428492
pentane;zirconium(2+);dichloride
CID 174388697

Frequently Asked Questions

What is the IUPAC name of sodium;pentane;azide?
The IUPAC name of sodium;pentane;azide (CID 175098930) is sodium;pentane;azide.
What is the SMILES notation for sodium;pentane;azide?
The canonical SMILES for sodium;pentane;azide is CCCCC.[N-]=[N+]=[N-].[Na+].
What is the InChIKey of sodium;pentane;azide?
The InChIKey is YQHQKALYJDXIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.N3.Na/c1-3-5-4-2;1-3-2;/h3-5H2,1-2H3;;/q;-1;+1.
What are the key properties of sodium;pentane;azide?
sodium;pentane;azide has a molecular weight of 137.16 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;pentane;azide is sourced from PubChem (CID 175098930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).