2-[5-(dimethylamino)tetrazol-1-yl]acetohydrazide

C5H11N7O — CID 1487173

IUPAC2-[5-(dimethylamino)tetrazol-1-yl]acetohydrazide
SMILESCN(C)c1nnnn1CC(=O)NN
InChIInChI=1S/C5H11N7O/c1-11(2)5-8-9-10-12(5)3-4(13)7-6/h3,6H2,1-2H3,(H,7,13)
InChIKeyUKMMFEKFLJBUPM-UHFFFAOYSA-N
MW185.19 g/mol
LogP-2.27
Rot. Bonds3

About 2-[5-(dimethylamino)tetrazol-1-yl]acetohydrazide

2-[5-(dimethylamino)tetrazol-1-yl]acetohydrazide (PubChem CID 1487173) has the molecular formula C5H11N7O and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-[5-(dimethylamino)tetrazol-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[5-(dimethylamino)tetrazol-1-yl]acetohydrazide
PubChem CID1487173
Molecular FormulaC5H11N7O
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name2-[5-(dimethylamino)tetrazol-1-yl]acetohydrazide
SMILESCN(C)c1nnnn1CC(=O)NN
InChIInChI=1S/C5H11N7O/c1-11(2)5-8-9-10-12(5)3-4(13)7-6/h3,6H2,1-2H3,(H,7,13)
InChIKeyUKMMFEKFLJBUPM-UHFFFAOYSA-N
XLogP-2.27
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-2.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylamino)tetrazol-1-yl]acetohydrazide?
The IUPAC name of 2-[5-(dimethylamino)tetrazol-1-yl]acetohydrazide (CID 1487173) is 2-[5-(dimethylamino)tetrazol-1-yl]acetohydrazide.
What is the SMILES notation for 2-[5-(dimethylamino)tetrazol-1-yl]acetohydrazide?
The canonical SMILES for 2-[5-(dimethylamino)tetrazol-1-yl]acetohydrazide is CN(C)c1nnnn1CC(=O)NN.
What is the InChIKey of 2-[5-(dimethylamino)tetrazol-1-yl]acetohydrazide?
The InChIKey is UKMMFEKFLJBUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N7O/c1-11(2)5-8-9-10-12(5)3-4(13)7-6/h3,6H2,1-2H3,(H,7,13).
What are the key properties of 2-[5-(dimethylamino)tetrazol-1-yl]acetohydrazide?
2-[5-(dimethylamino)tetrazol-1-yl]acetohydrazide has a molecular weight of 185.19 g/mol, XLogP of -2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylamino)tetrazol-1-yl]acetohydrazide is sourced from PubChem (CID 1487173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).