5H-pyrrolo[1,2-b][1,2,4]triazole

C5H5N3 — CID 22630677

IUPAC5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESC1=Cc2ncnn2C1
InChIInChI=1S/C5H5N3/c1-2-5-6-4-7-8(5)3-1/h1-2,4H,3H2
InChIKeyPXQRRBCLMCILHE-UHFFFAOYSA-N
MW107.12 g/mol
LogP0.30
Rot. Bonds

About 5H-pyrrolo[1,2-b][1,2,4]triazole

5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 22630677) has the molecular formula C5H5N3 and a molecular weight of 107.12 g/mol. Its IUPAC name is 5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID22630677
Molecular FormulaC5H5N3
Molecular Weight107.12 g/mol
Exact Mass107.05
IUPAC Name5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESC1=Cc2ncnn2C1
InChIInChI=1S/C5H5N3/c1-2-5-6-4-7-8(5)3-1/h1-2,4H,3H2
InChIKeyPXQRRBCLMCILHE-UHFFFAOYSA-N
XLogP0.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of 5H-pyrrolo[1,2-b][1,2,4]triazole (CID 22630677) is 5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for 5H-pyrrolo[1,2-b][1,2,4]triazole is C1=Cc2ncnn2C1.
What is the InChIKey of 5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is PXQRRBCLMCILHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3/c1-2-5-6-4-7-8(5)3-1/h1-2,4H,3H2.
What are the key properties of 5H-pyrrolo[1,2-b][1,2,4]triazole?
5H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 107.12 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 22630677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).