3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole

C8H11N3 — CID 58783642

IUPAC3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCC(C)c1nnc2n1CC=C2
InChIInChI=1S/C8H11N3/c1-6(2)8-10-9-7-4-3-5-11(7)8/h3-4,6H,5H2,1-2H3
InChIKeyORJUUCYQGXCZQS-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.43
Rot. Bonds1

About 3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole

3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 58783642) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID58783642
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCC(C)c1nnc2n1CC=C2
InChIInChI=1S/C8H11N3/c1-6(2)8-10-9-7-4-3-5-11(7)8/h3-4,6H,5H2,1-2H3
InChIKeyORJUUCYQGXCZQS-UHFFFAOYSA-N
XLogP1.43
TPSA30.71 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 ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 58783642) is 3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole is CC(C)c1nnc2n1CC=C2.
What is the InChIKey of 3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is ORJUUCYQGXCZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-6(2)8-10-9-7-4-3-5-11(7)8/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 149.20 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 58783642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).