pyrrolo[3,4-e]indazole

C9H5N3 — CID 67258838

IUPACpyrrolo[3,4-e]indazole
SMILESC1=NC=c2ccc3c(c21)C=NN=3
InChIInChI=1S/C9H5N3/c1-2-9-8(5-11-12-9)7-4-10-3-6(1)7/h1-5H
InChIKeyDHUYHYJHBWMELN-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.18
Rot. Bonds

About pyrrolo[3,4-e]indazole

pyrrolo[3,4-e]indazole (PubChem CID 67258838) has the molecular formula C9H5N3 and a molecular weight of 155.16 g/mol. Its IUPAC name is pyrrolo[3,4-e]indazole.

Molecular Properties

Compound Namepyrrolo[3,4-e]indazole
PubChem CID67258838
Molecular FormulaC9H5N3
Molecular Weight155.16 g/mol
Exact Mass155.05
IUPAC Namepyrrolo[3,4-e]indazole
SMILESC1=NC=c2ccc3c(c21)C=NN=3
InChIInChI=1S/C9H5N3/c1-2-9-8(5-11-12-9)7-4-10-3-6(1)7/h1-5H
InChIKeyDHUYHYJHBWMELN-UHFFFAOYSA-N
XLogP-0.18
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,4-e]indazole?
The IUPAC name of pyrrolo[3,4-e]indazole (CID 67258838) is pyrrolo[3,4-e]indazole.
What is the SMILES notation for pyrrolo[3,4-e]indazole?
The canonical SMILES for pyrrolo[3,4-e]indazole is C1=NC=c2ccc3c(c21)C=NN=3.
What is the InChIKey of pyrrolo[3,4-e]indazole?
The InChIKey is DHUYHYJHBWMELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3/c1-2-9-8(5-11-12-9)7-4-10-3-6(1)7/h1-5H.
What are the key properties of pyrrolo[3,4-e]indazole?
pyrrolo[3,4-e]indazole has a molecular weight of 155.16 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,4-e]indazole is sourced from PubChem (CID 67258838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).