6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole-5-carboxylic acid

C5H6N4O2 — CID 66924480

IUPAC6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole-5-carboxylic acid
SMILESO=C(O)C1CCc2nnnn21
InChIInChI=1S/C5H6N4O2/c10-5(11)3-1-2-4-6-7-8-9(3)4/h3H,1-2H2,(H,10,11)
InChIKeyIZDNRZDFXLAROF-UHFFFAOYSA-N
MW154.13 g/mol
LogP-0.75
Rot. Bonds1

About 6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole-5-carboxylic acid

6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole-5-carboxylic acid (PubChem CID 66924480) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole-5-carboxylic acid.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole-5-carboxylic acid
PubChem CID66924480
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole-5-carboxylic acid
SMILESO=C(O)C1CCc2nnnn21
InChIInChI=1S/C5H6N4O2/c10-5(11)3-1-2-4-6-7-8-9(3)4/h3H,1-2H2,(H,10,11)
InChIKeyIZDNRZDFXLAROF-UHFFFAOYSA-N
XLogP-0.75
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole-5-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

5,6-dihydro-4H-pyrrolo[1,2-c]triazole-6-carboxylic acid
CID 84716502
3-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylic acid
CID 82408556
(6S)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxylic acid
CID 99164984
(2S)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid
CID 10560862
1-[(5S)-6,6-dimethyl-7,8-dihydro-5H-tetrazolo[1,5-a]pyridin-5-yl]propan-2-one
CID 102214263
1-cyclopentyltetrazole-5-carboxylic acid
CID 83875985
2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 83867314
(5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylic acid
CID 11586740
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002576
6,7-dihydro-5H-tetrazolo[5,1-b][1,3]thiazine-5-carboxylic acid
CID 75532036
(2S)-1-chloropyrrolidine-2-carboxylic acid
CID 25009763

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole-5-carboxylic acid?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole-5-carboxylic acid (CID 66924480) is 6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole-5-carboxylic acid.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole-5-carboxylic acid?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole-5-carboxylic acid is O=C(O)C1CCc2nnnn21.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole-5-carboxylic acid?
The InChIKey is IZDNRZDFXLAROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c10-5(11)3-1-2-4-6-7-8-9(3)4/h3H,1-2H2,(H,10,11).
What are the key properties of 6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole-5-carboxylic acid?
6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole-5-carboxylic acid has a molecular weight of 154.13 g/mol, XLogP of -0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole-5-carboxylic acid is sourced from PubChem (CID 66924480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).