2-(tetrazol-1-yl)acetohydrazide

C3H6N6O — CID 11480497

IUPAC2-(tetrazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1cnnn1
InChIInChI=1S/C3H6N6O/c4-6-3(10)1-9-2-5-7-8-9/h2H,1,4H2,(H,6,10)
InChIKeyYDORFIZIPBBRKA-UHFFFAOYSA-N
MW142.12 g/mol
LogP-2.34
Rot. Bonds2

About 2-(tetrazol-1-yl)acetohydrazide

2-(tetrazol-1-yl)acetohydrazide (PubChem CID 11480497) has the molecular formula C3H6N6O and a molecular weight of 142.12 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(tetrazol-1-yl)acetohydrazide
PubChem CID11480497
Molecular FormulaC3H6N6O
Molecular Weight142.12 g/mol
Exact Mass142.06
IUPAC Name2-(tetrazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1cnnn1
InChIInChI=1S/C3H6N6O/c4-6-3(10)1-9-2-5-7-8-9/h2H,1,4H2,(H,6,10)
InChIKeyYDORFIZIPBBRKA-UHFFFAOYSA-N
XLogP-2.34
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-2.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(tetrazol-1-yl)acetohydrazide?
The IUPAC name of 2-(tetrazol-1-yl)acetohydrazide (CID 11480497) is 2-(tetrazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(tetrazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(tetrazol-1-yl)acetohydrazide is NNC(=O)Cn1cnnn1.
What is the InChIKey of 2-(tetrazol-1-yl)acetohydrazide?
The InChIKey is YDORFIZIPBBRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6O/c4-6-3(10)1-9-2-5-7-8-9/h2H,1,4H2,(H,6,10).
What are the key properties of 2-(tetrazol-1-yl)acetohydrazide?
2-(tetrazol-1-yl)acetohydrazide has a molecular weight of 142.12 g/mol, XLogP of -2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)acetohydrazide is sourced from PubChem (CID 11480497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).