3H-pyrrolo[1,2-b][1,2,4]triazole

C5H5N3 — CID 21224061

IUPAC3H-pyrrolo[1,2-b][1,2,4]triazole
SMILESc1cc2nc[nH]n2c1
InChIInChI=1S/C5H5N3/c1-2-5-6-4-7-8(5)3-1/h1-4H,(H,6,7)
InChIKeyAPHMACMOTRFPDW-UHFFFAOYSA-N
MW107.12 g/mol
LogP0.66
Rot. Bonds

About 3H-pyrrolo[1,2-b][1,2,4]triazole

3H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 21224061) has the molecular formula C5H5N3 and a molecular weight of 107.12 g/mol. Its IUPAC name is 3H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name3H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID21224061
Molecular FormulaC5H5N3
Molecular Weight107.12 g/mol
Exact Mass107.05
IUPAC Name3H-pyrrolo[1,2-b][1,2,4]triazole
SMILESc1cc2nc[nH]n2c1
InChIInChI=1S/C5H5N3/c1-2-5-6-4-7-8(5)3-1/h1-4H,(H,6,7)
InChIKeyAPHMACMOTRFPDW-UHFFFAOYSA-N
XLogP0.66
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 21226033
1h-Pyrrolo [2,1-c]-sym-triazole
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CID 53215354
Tetrazol-1-ylazole
CID 53768322
1H-pyrrolo[2,1-e][1,2,4,3]triazaborole
CID 91553838
Pyrrolyl pyrazolyl pyrazoline
CID 132493945
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
5-(1H-Pyrrol-1-yl)-1H-1,2,4-triazole
CID 18359717
3H-[1,2,4]triazolo[1,5-b]pyridazin-4-ium
CID 21241324
2,6,7-trimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole
CID 22976819

Frequently Asked Questions

What is the IUPAC name of 3H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of 3H-pyrrolo[1,2-b][1,2,4]triazole (CID 21224061) is 3H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 3H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for 3H-pyrrolo[1,2-b][1,2,4]triazole is c1cc2nc[nH]n2c1.
What is the InChIKey of 3H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is APHMACMOTRFPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3/c1-2-5-6-4-7-8(5)3-1/h1-4H,(H,6,7).
What are the key properties of 3H-pyrrolo[1,2-b][1,2,4]triazole?
3H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 107.12 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 21224061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).