3H-pyrrolo[2,1-e]tetrazole

C4H4N4 — CID 21226033

IUPAC3H-pyrrolo[2,1-e]tetrazole
SMILESc1cc2nn[nH]n2c1
InChIInChI=1S/C4H4N4/c1-2-4-5-6-7-8(4)3-1/h1-3H,(H,5,7)
InChIKeyQUUCNPIIOHDTBB-UHFFFAOYSA-N
MW108.10 g/mol
LogP0.06
Rot. Bonds

About 3H-pyrrolo[2,1-e]tetrazole

3H-pyrrolo[2,1-e]tetrazole (PubChem CID 21226033) has the molecular formula C4H4N4 and a molecular weight of 108.10 g/mol. Its IUPAC name is 3H-pyrrolo[2,1-e]tetrazole.

Molecular Properties

Compound Name3H-pyrrolo[2,1-e]tetrazole
PubChem CID21226033
Molecular FormulaC4H4N4
Molecular Weight108.10 g/mol
Exact Mass108.04
IUPAC Name3H-pyrrolo[2,1-e]tetrazole
SMILESc1cc2nn[nH]n2c1
InChIInChI=1S/C4H4N4/c1-2-4-5-6-7-8(4)3-1/h1-3H,(H,5,7)
InChIKeyQUUCNPIIOHDTBB-UHFFFAOYSA-N
XLogP0.06
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Pyrrol-1-yl)-1,2,4-triazole
CID 12203607
1h-Pyrrolo [1,2-b]-sym-triazole
CID 21224061
1h-Pyrrolo [2,1-c]-sym-triazole
CID 22016110
Tetrazol-1-ylazole
CID 53768322
5-pyrrol-1-yl-2H-tetrazole
CID 67857397
1H-pyrrolo[2,1-e][1,2,4,3]triazaborole
CID 91553838
Pyrrolo[1,2-b][1,2,4,5]tetrazine
CID 129872858
1,7-Dimethylpyrrolo[2,1-e]tetrazole
CID 10486902
3,6-Dimethyl-1,2-diaza-3-azonia-4-azanidabicyclo[3.3.0]octa-2,5,7-triene
CID 10510906
1,6-Dimethylpyrrolo[2,1-e]tetrazole
CID 14969815
1-Pyrrol-1-yl-1,2,4-triazole
CID 12589008
5-(1H-Pyrrol-1-yl)-1H-1,2,4-triazole
CID 18359717

Frequently Asked Questions

What is the IUPAC name of 3H-pyrrolo[2,1-e]tetrazole?
The IUPAC name of 3H-pyrrolo[2,1-e]tetrazole (CID 21226033) is 3H-pyrrolo[2,1-e]tetrazole.
What is the SMILES notation for 3H-pyrrolo[2,1-e]tetrazole?
The canonical SMILES for 3H-pyrrolo[2,1-e]tetrazole is c1cc2nn[nH]n2c1.
What is the InChIKey of 3H-pyrrolo[2,1-e]tetrazole?
The InChIKey is QUUCNPIIOHDTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4/c1-2-4-5-6-7-8(4)3-1/h1-3H,(H,5,7).
What are the key properties of 3H-pyrrolo[2,1-e]tetrazole?
3H-pyrrolo[2,1-e]tetrazole has a molecular weight of 108.10 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrolo[2,1-e]tetrazole is sourced from PubChem (CID 21226033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).