ethyl 2-[[amino-(5H-tetrazol-5-ylamino)methylidene]amino]acetate

C6H11N7O2 — CID 174437144

IUPACethyl 2-[[amino-(5H-tetrazol-5-ylamino)methylidene]amino]acetate
SMILESCCOC(=O)C/N=C(\N)NC1N=NN=N1
InChIInChI=1S/C6H11N7O2/c1-2-15-4(14)3-8-5(7)9-6-10-12-13-11-6/h6H,2-3H2,1H3,(H3,7,8,9)
InChIKeyHNYPJENYHYCUQS-UHFFFAOYSA-N
MW213.20 g/mol
LogP-0.43
Rot. Bonds4

About ethyl 2-[[amino-(5H-tetrazol-5-ylamino)methylidene]amino]acetate

ethyl 2-[[amino-(5H-tetrazol-5-ylamino)methylidene]amino]acetate (PubChem CID 174437144) has the molecular formula C6H11N7O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is ethyl 2-[[amino-(5H-tetrazol-5-ylamino)methylidene]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[amino-(5H-tetrazol-5-ylamino)methylidene]amino]acetate
PubChem CID174437144
Molecular FormulaC6H11N7O2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Nameethyl 2-[[amino-(5H-tetrazol-5-ylamino)methylidene]amino]acetate
SMILESCCOC(=O)C/N=C(\N)NC1N=NN=N1
InChIInChI=1S/C6H11N7O2/c1-2-15-4(14)3-8-5(7)9-6-10-12-13-11-6/h6H,2-3H2,1H3,(H3,7,8,9)
InChIKeyHNYPJENYHYCUQS-UHFFFAOYSA-N
XLogP-0.43
TPSA126.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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diethyl propanedioate;titanium
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diethyl propanedioate;ethane
CID 123991095
ethyl carbamate
CID 21202847
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CID 161409576

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[amino-(5H-tetrazol-5-ylamino)methylidene]amino]acetate?
The IUPAC name of ethyl 2-[[amino-(5H-tetrazol-5-ylamino)methylidene]amino]acetate (CID 174437144) is ethyl 2-[[amino-(5H-tetrazol-5-ylamino)methylidene]amino]acetate.
What is the SMILES notation for ethyl 2-[[amino-(5H-tetrazol-5-ylamino)methylidene]amino]acetate?
The canonical SMILES for ethyl 2-[[amino-(5H-tetrazol-5-ylamino)methylidene]amino]acetate is CCOC(=O)C/N=C(\N)NC1N=NN=N1.
What is the InChIKey of ethyl 2-[[amino-(5H-tetrazol-5-ylamino)methylidene]amino]acetate?
The InChIKey is HNYPJENYHYCUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N7O2/c1-2-15-4(14)3-8-5(7)9-6-10-12-13-11-6/h6H,2-3H2,1H3,(H3,7,8,9).
What are the key properties of ethyl 2-[[amino-(5H-tetrazol-5-ylamino)methylidene]amino]acetate?
ethyl 2-[[amino-(5H-tetrazol-5-ylamino)methylidene]amino]acetate has a molecular weight of 213.20 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[amino-(5H-tetrazol-5-ylamino)methylidene]amino]acetate is sourced from PubChem (CID 174437144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).