7H-imidazo[4,5-e]tetrazine-6-carboxylic acid

C4H2N6O2 — CID 118429115

IUPAC7H-imidazo[4,5-e]tetrazine-6-carboxylic acid
SMILESO=C(O)c1nc2nnnnc2[nH]1
InChIInChI=1S/C4H2N6O2/c11-4(12)3-5-1-2(6-3)8-10-9-7-1/h(H,11,12)(H,5,6,7,8,9,10)
InChIKeyVVQHOMBOONLRBU-UHFFFAOYSA-N
MW166.10 g/mol
LogP-1.16
Rot. Bonds1

About 7H-imidazo[4,5-e]tetrazine-6-carboxylic acid

7H-imidazo[4,5-e]tetrazine-6-carboxylic acid (PubChem CID 118429115) has the molecular formula C4H2N6O2 and a molecular weight of 166.10 g/mol. Its IUPAC name is 7H-imidazo[4,5-e]tetrazine-6-carboxylic acid.

Molecular Properties

Compound Name7H-imidazo[4,5-e]tetrazine-6-carboxylic acid
PubChem CID118429115
Molecular FormulaC4H2N6O2
Molecular Weight166.10 g/mol
Exact Mass166.02
IUPAC Name7H-imidazo[4,5-e]tetrazine-6-carboxylic acid
SMILESO=C(O)c1nc2nnnnc2[nH]1
InChIInChI=1S/C4H2N6O2/c11-4(12)3-5-1-2(6-3)8-10-9-7-1/h(H,11,12)(H,5,6,7,8,9,10)
InChIKeyVVQHOMBOONLRBU-UHFFFAOYSA-N
XLogP-1.16
TPSA117.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7H-imidazo[4,5-e]tetrazine-6-carboxylic acid?
The IUPAC name of 7H-imidazo[4,5-e]tetrazine-6-carboxylic acid (CID 118429115) is 7H-imidazo[4,5-e]tetrazine-6-carboxylic acid.
What is the SMILES notation for 7H-imidazo[4,5-e]tetrazine-6-carboxylic acid?
The canonical SMILES for 7H-imidazo[4,5-e]tetrazine-6-carboxylic acid is O=C(O)c1nc2nnnnc2[nH]1.
What is the InChIKey of 7H-imidazo[4,5-e]tetrazine-6-carboxylic acid?
The InChIKey is VVQHOMBOONLRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N6O2/c11-4(12)3-5-1-2(6-3)8-10-9-7-1/h(H,11,12)(H,5,6,7,8,9,10).
What are the key properties of 7H-imidazo[4,5-e]tetrazine-6-carboxylic acid?
7H-imidazo[4,5-e]tetrazine-6-carboxylic acid has a molecular weight of 166.10 g/mol, XLogP of -1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-imidazo[4,5-e]tetrazine-6-carboxylic acid is sourced from PubChem (CID 118429115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).