3H-[1,2,4]triazolo[5,1-a]isoindole

C9H7N3 — CID 70552035

IUPAC3H-[1,2,4]triazolo[5,1-a]isoindole
SMILESc1ccc2c(c1)cn1[nH]cnc21
InChIInChI=1S/C9H7N3/c1-2-4-8-7(3-1)5-12-9(8)10-6-11-12/h1-6H,(H,10,11)
InChIKeyGBSCFXJXOUNMTN-UHFFFAOYSA-N
MW157.18 g/mol
LogP1.82
Rot. Bonds

About 3H-[1,2,4]triazolo[5,1-a]isoindole

3H-[1,2,4]triazolo[5,1-a]isoindole (PubChem CID 70552035) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 3H-[1,2,4]triazolo[5,1-a]isoindole.

Molecular Properties

Compound Name3H-[1,2,4]triazolo[5,1-a]isoindole
PubChem CID70552035
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name3H-[1,2,4]triazolo[5,1-a]isoindole
SMILESc1ccc2c(c1)cn1[nH]cnc21
InChIInChI=1S/C9H7N3/c1-2-4-8-7(3-1)5-12-9(8)10-6-11-12/h1-6H,(H,10,11)
InChIKeyGBSCFXJXOUNMTN-UHFFFAOYSA-N
XLogP1.82
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-[1,2,4]triazolo[5,1-a]isoindole?
The IUPAC name of 3H-[1,2,4]triazolo[5,1-a]isoindole (CID 70552035) is 3H-[1,2,4]triazolo[5,1-a]isoindole.
What is the SMILES notation for 3H-[1,2,4]triazolo[5,1-a]isoindole?
The canonical SMILES for 3H-[1,2,4]triazolo[5,1-a]isoindole is c1ccc2c(c1)cn1[nH]cnc21.
What is the InChIKey of 3H-[1,2,4]triazolo[5,1-a]isoindole?
The InChIKey is GBSCFXJXOUNMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c1-2-4-8-7(3-1)5-12-9(8)10-6-11-12/h1-6H,(H,10,11).
What are the key properties of 3H-[1,2,4]triazolo[5,1-a]isoindole?
3H-[1,2,4]triazolo[5,1-a]isoindole has a molecular weight of 157.18 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-[1,2,4]triazolo[5,1-a]isoindole is sourced from PubChem (CID 70552035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).