ethyl 4-hydroxy-2H-tetrazole-3-carboxylate

C4H8N4O3 — CID 139888201

IUPACethyl 4-hydroxy-2H-tetrazole-3-carboxylate
SMILESCCOC(=O)N1NN=CN1O
InChIInChI=1S/C4H8N4O3/c1-2-11-4(9)8-6-5-3-7(8)10/h3,6,10H,2H2,1H3
InChIKeyPLQHMHMOBZVJQP-UHFFFAOYSA-N
MW160.13 g/mol
LogP-0.49
Rot. Bonds1

About ethyl 4-hydroxy-2H-tetrazole-3-carboxylate

ethyl 4-hydroxy-2H-tetrazole-3-carboxylate (PubChem CID 139888201) has the molecular formula C4H8N4O3 and a molecular weight of 160.13 g/mol. Its IUPAC name is ethyl 4-hydroxy-2H-tetrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2H-tetrazole-3-carboxylate
PubChem CID139888201
Molecular FormulaC4H8N4O3
Molecular Weight160.13 g/mol
Exact Mass160.06
IUPAC Nameethyl 4-hydroxy-2H-tetrazole-3-carboxylate
SMILESCCOC(=O)N1NN=CN1O
InChIInChI=1S/C4H8N4O3/c1-2-11-4(9)8-6-5-3-7(8)10/h3,6,10H,2H2,1H3
InChIKeyPLQHMHMOBZVJQP-UHFFFAOYSA-N
XLogP-0.49
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2H-tetrazole-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2H-tetrazole-3-carboxylate (CID 139888201) is ethyl 4-hydroxy-2H-tetrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2H-tetrazole-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2H-tetrazole-3-carboxylate is CCOC(=O)N1NN=CN1O.
What is the InChIKey of ethyl 4-hydroxy-2H-tetrazole-3-carboxylate?
The InChIKey is PLQHMHMOBZVJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O3/c1-2-11-4(9)8-6-5-3-7(8)10/h3,6,10H,2H2,1H3.
What are the key properties of ethyl 4-hydroxy-2H-tetrazole-3-carboxylate?
ethyl 4-hydroxy-2H-tetrazole-3-carboxylate has a molecular weight of 160.13 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2H-tetrazole-3-carboxylate is sourced from PubChem (CID 139888201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).