5-(1-diazoethyl)-2H-tetrazole

C3H4N6 — CID 11116050

IUPAC5-(1-diazoethyl)-2H-tetrazole
SMILESCC(=[N+]=[N-])c1nn[nH]n1
InChIInChI=1S/C3H4N6/c1-2(5-4)3-6-8-9-7-3/h1H3,(H,6,7,8,9)
InChIKeyGJUGRGGCHQNOEZ-UHFFFAOYSA-N
MW124.11 g/mol
LogP-0.76
Rot. Bonds1

About 5-(1-diazoethyl)-2H-tetrazole

5-(1-diazoethyl)-2H-tetrazole (PubChem CID 11116050) has the molecular formula C3H4N6 and a molecular weight of 124.11 g/mol. Its IUPAC name is 5-(1-diazoethyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(1-diazoethyl)-2H-tetrazole
PubChem CID11116050
Molecular FormulaC3H4N6
Molecular Weight124.11 g/mol
Exact Mass124.05
IUPAC Name5-(1-diazoethyl)-2H-tetrazole
SMILESCC(=[N+]=[N-])c1nn[nH]n1
InChIInChI=1S/C3H4N6/c1-2(5-4)3-6-8-9-7-3/h1H3,(H,6,7,8,9)
InChIKeyGJUGRGGCHQNOEZ-UHFFFAOYSA-N
XLogP-0.76
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.11
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

sodium [(E)-1-(2H-tetrazol-5-yl)ethylideneamino]azanide
CID 135437274
2H-tetrazole-5-carbothioic S-acid
CID 175821509
(E)-3-amino-2-(2H-tetrazol-5-yl)but-2-enenitrile
CID 14063065
2,4-dichloro-6-(1-diazoethyl)-1,3,5-triazine
CID 119093899
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
CID 174881615
CID 174881615
5-methyl-2H-tetrazole;prop-1-en-2-amine
CID 158635982
N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide
CID 107858481
N-nitro-2H-tetrazole-5-carboxamide
CID 170844684
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2H-tetrazole-5-carboxamide
CID 103113174

Frequently Asked Questions

What is the IUPAC name of 5-(1-diazoethyl)-2H-tetrazole?
The IUPAC name of 5-(1-diazoethyl)-2H-tetrazole (CID 11116050) is 5-(1-diazoethyl)-2H-tetrazole.
What is the SMILES notation for 5-(1-diazoethyl)-2H-tetrazole?
The canonical SMILES for 5-(1-diazoethyl)-2H-tetrazole is CC(=[N+]=[N-])c1nn[nH]n1.
What is the InChIKey of 5-(1-diazoethyl)-2H-tetrazole?
The InChIKey is GJUGRGGCHQNOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N6/c1-2(5-4)3-6-8-9-7-3/h1H3,(H,6,7,8,9).
What are the key properties of 5-(1-diazoethyl)-2H-tetrazole?
5-(1-diazoethyl)-2H-tetrazole has a molecular weight of 124.11 g/mol, XLogP of -0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-diazoethyl)-2H-tetrazole is sourced from PubChem (CID 11116050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).