sodium [(E)-1-(2H-tetrazol-5-yl)ethylideneamino]azanide

C3H5N6Na — CID 135437274

IUPACsodium [(E)-1-(2H-tetrazol-5-yl)ethylideneamino]azanide
SMILESC/C(=N\[NH-])c1nn[nH]n1.[Na+]
InChIInChI=1S/C3H5N6.Na/c1-2(5-4)3-6-8-9-7-3;/h4H,1H3,(H,6,7,8,9);/q-1;+1/b5-2+;
InChIKeyBYSZHZLUMCBZTM-DPZBITMOSA-N
MW148.10 g/mol
LogP-3.02
Rot. Bonds1

About sodium [(E)-1-(2H-tetrazol-5-yl)ethylideneamino]azanide

sodium [(E)-1-(2H-tetrazol-5-yl)ethylideneamino]azanide (PubChem CID 135437274) has the molecular formula C3H5N6Na and a molecular weight of 148.10 g/mol. Its IUPAC name is sodium [(E)-1-(2H-tetrazol-5-yl)ethylideneamino]azanide.

Molecular Properties

Compound Namesodium [(E)-1-(2H-tetrazol-5-yl)ethylideneamino]azanide
PubChem CID135437274
Molecular FormulaC3H5N6Na
Molecular Weight148.10 g/mol
Exact Mass148.05
IUPAC Namesodium [(E)-1-(2H-tetrazol-5-yl)ethylideneamino]azanide
SMILESC/C(=N\[NH-])c1nn[nH]n1.[Na+]
InChIInChI=1S/C3H5N6.Na/c1-2(5-4)3-6-8-9-7-3;/h4H,1H3,(H,6,7,8,9);/q-1;+1/b5-2+;
InChIKeyBYSZHZLUMCBZTM-DPZBITMOSA-N
XLogP-3.02
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.10
LogP ≤ 5-3.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(1-diazoethyl)-2H-tetrazole
CID 11116050
2H-tetrazole-5-carbothioic S-acid
CID 175821509
(E)-3-amino-2-(2H-tetrazol-5-yl)but-2-enenitrile
CID 14063065
bis(2H-tetrazol-5-yl)azanide
CID 136738403
2-(2H-tetrazol-5-yl)prop-2-enamide
CID 154333734
ethyl 2H-tetrazole-5-carboxylate;molecular hydrogen
CID 155716466
5-methyl-2H-tetrazole;prop-1-en-2-amine
CID 158635982
N-methyl-N-(propan-2-ylideneamino)-2H-tetrazol-5-amine
CID 90031759
N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide
CID 107858481
N-(3-acetyl-2-hydroxy-5-methylphenyl)-2H-tetrazole-5-carboxamide
CID 135721012
N-nitro-2H-tetrazole-5-carboxamide
CID 170844684
ethane;1-(2H-tetrazol-5-yl)propan-2-one
CID 156809476

Frequently Asked Questions

What is the IUPAC name of sodium [(E)-1-(2H-tetrazol-5-yl)ethylideneamino]azanide?
The IUPAC name of sodium [(E)-1-(2H-tetrazol-5-yl)ethylideneamino]azanide (CID 135437274) is sodium [(E)-1-(2H-tetrazol-5-yl)ethylideneamino]azanide.
What is the SMILES notation for sodium [(E)-1-(2H-tetrazol-5-yl)ethylideneamino]azanide?
The canonical SMILES for sodium [(E)-1-(2H-tetrazol-5-yl)ethylideneamino]azanide is C/C(=N\[NH-])c1nn[nH]n1.[Na+].
What is the InChIKey of sodium [(E)-1-(2H-tetrazol-5-yl)ethylideneamino]azanide?
The InChIKey is BYSZHZLUMCBZTM-DPZBITMOSA-N. The full InChI is InChI=1S/C3H5N6.Na/c1-2(5-4)3-6-8-9-7-3;/h4H,1H3,(H,6,7,8,9);/q-1;+1/b5-2+;.
What are the key properties of sodium [(E)-1-(2H-tetrazol-5-yl)ethylideneamino]azanide?
sodium [(E)-1-(2H-tetrazol-5-yl)ethylideneamino]azanide has a molecular weight of 148.10 g/mol, XLogP of -3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [(E)-1-(2H-tetrazol-5-yl)ethylideneamino]azanide is sourced from PubChem (CID 135437274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).