1-propan-2-ylpyrrolo[1,2-b][1,2,4]triazole

C8H11N3 — CID 59421440

IUPAC1-propan-2-ylpyrrolo[1,2-b][1,2,4]triazole
SMILESCC(C)n1cnn2cccc12
InChIInChI=1S/C8H11N3/c1-7(2)10-6-9-11-5-3-4-8(10)11/h3-7H,1-2H3
InChIKeyYAYNRAYGTVNKHU-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.72
Rot. Bonds1

About 1-propan-2-ylpyrrolo[1,2-b][1,2,4]triazole

1-propan-2-ylpyrrolo[1,2-b][1,2,4]triazole (PubChem CID 59421440) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 1-propan-2-ylpyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name1-propan-2-ylpyrrolo[1,2-b][1,2,4]triazole
PubChem CID59421440
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name1-propan-2-ylpyrrolo[1,2-b][1,2,4]triazole
SMILESCC(C)n1cnn2cccc12
InChIInChI=1S/C8H11N3/c1-7(2)10-6-9-11-5-3-4-8(10)11/h3-7H,1-2H3
InChIKeyYAYNRAYGTVNKHU-UHFFFAOYSA-N
XLogP1.72
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of 1-propan-2-ylpyrrolo[1,2-b][1,2,4]triazole (CID 59421440) is 1-propan-2-ylpyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 1-propan-2-ylpyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for 1-propan-2-ylpyrrolo[1,2-b][1,2,4]triazole is CC(C)n1cnn2cccc12.
What is the InChIKey of 1-propan-2-ylpyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is YAYNRAYGTVNKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-7(2)10-6-9-11-5-3-4-8(10)11/h3-7H,1-2H3.
What are the key properties of 1-propan-2-ylpyrrolo[1,2-b][1,2,4]triazole?
1-propan-2-ylpyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 149.20 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 59421440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).