2-[5-[amino(methyl)amino]tetrazol-1-yl]ethyl acetate

C6H12N6O2 — CID 25209478

IUPAC2-[5-[amino(methyl)amino]tetrazol-1-yl]ethyl acetate
SMILESCC(=O)OCCn1nnnc1N(C)N
InChIInChI=1S/C6H12N6O2/c1-5(13)14-4-3-12-6(11(2)7)8-9-10-12/h3-4,7H2,1-2H3
InChIKeyXNVKAENGRWQPPE-UHFFFAOYSA-N
MW200.20 g/mol
LogP-1.45
Rot. Bonds4

About 2-[5-[amino(methyl)amino]tetrazol-1-yl]ethyl acetate

2-[5-[amino(methyl)amino]tetrazol-1-yl]ethyl acetate (PubChem CID 25209478) has the molecular formula C6H12N6O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-[5-[amino(methyl)amino]tetrazol-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[5-[amino(methyl)amino]tetrazol-1-yl]ethyl acetate
PubChem CID25209478
Molecular FormulaC6H12N6O2
Molecular Weight200.20 g/mol
Exact Mass200.10
IUPAC Name2-[5-[amino(methyl)amino]tetrazol-1-yl]ethyl acetate
SMILESCC(=O)OCCn1nnnc1N(C)N
InChIInChI=1S/C6H12N6O2/c1-5(13)14-4-3-12-6(11(2)7)8-9-10-12/h3-4,7H2,1-2H3
InChIKeyXNVKAENGRWQPPE-UHFFFAOYSA-N
XLogP-1.45
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[5-[amino(methyl)amino]tetrazol-1-yl]ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino(methyl)amino]tetrazol-1-yl]ethyl acetate?
The IUPAC name of 2-[5-[amino(methyl)amino]tetrazol-1-yl]ethyl acetate (CID 25209478) is 2-[5-[amino(methyl)amino]tetrazol-1-yl]ethyl acetate.
What is the SMILES notation for 2-[5-[amino(methyl)amino]tetrazol-1-yl]ethyl acetate?
The canonical SMILES for 2-[5-[amino(methyl)amino]tetrazol-1-yl]ethyl acetate is CC(=O)OCCn1nnnc1N(C)N.
What is the InChIKey of 2-[5-[amino(methyl)amino]tetrazol-1-yl]ethyl acetate?
The InChIKey is XNVKAENGRWQPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6O2/c1-5(13)14-4-3-12-6(11(2)7)8-9-10-12/h3-4,7H2,1-2H3.
What are the key properties of 2-[5-[amino(methyl)amino]tetrazol-1-yl]ethyl acetate?
2-[5-[amino(methyl)amino]tetrazol-1-yl]ethyl acetate has a molecular weight of 200.20 g/mol, XLogP of -1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino(methyl)amino]tetrazol-1-yl]ethyl acetate is sourced from PubChem (CID 25209478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).