3-phenyl-5H-pyridazino[4,3-b]indole

C16H11N3 — CID 23648194

IUPAC3-phenyl-5H-pyridazino[4,3-b]indole
SMILESc1ccc(-c2cc3[nH]c4ccccc4c3nn2)cc1
InChIInChI=1S/C16H11N3/c1-2-6-11(7-3-1)14-10-15-16(19-18-14)12-8-4-5-9-13(12)17-15/h1-10,17H
InChIKeyURNLOOIGUNQTFL-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.78
Rot. Bonds1

About 3-phenyl-5H-pyridazino[4,3-b]indole

3-phenyl-5H-pyridazino[4,3-b]indole (PubChem CID 23648194) has the molecular formula C16H11N3 and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-phenyl-5H-pyridazino[4,3-b]indole.

Molecular Properties

Compound Name3-phenyl-5H-pyridazino[4,3-b]indole
PubChem CID23648194
Molecular FormulaC16H11N3
Molecular Weight245.29 g/mol
Exact Mass245.10
IUPAC Name3-phenyl-5H-pyridazino[4,3-b]indole
SMILESc1ccc(-c2cc3[nH]c4ccccc4c3nn2)cc1
InChIInChI=1S/C16H11N3/c1-2-6-11(7-3-1)14-10-15-16(19-18-14)12-8-4-5-9-13(12)17-15/h1-10,17H
InChIKeyURNLOOIGUNQTFL-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5H-pyridazino[4,3-b]indole?
The IUPAC name of 3-phenyl-5H-pyridazino[4,3-b]indole (CID 23648194) is 3-phenyl-5H-pyridazino[4,3-b]indole.
What is the SMILES notation for 3-phenyl-5H-pyridazino[4,3-b]indole?
The canonical SMILES for 3-phenyl-5H-pyridazino[4,3-b]indole is c1ccc(-c2cc3[nH]c4ccccc4c3nn2)cc1.
What is the InChIKey of 3-phenyl-5H-pyridazino[4,3-b]indole?
The InChIKey is URNLOOIGUNQTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c1-2-6-11(7-3-1)14-10-15-16(19-18-14)12-8-4-5-9-13(12)17-15/h1-10,17H.
What are the key properties of 3-phenyl-5H-pyridazino[4,3-b]indole?
3-phenyl-5H-pyridazino[4,3-b]indole has a molecular weight of 245.29 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5H-pyridazino[4,3-b]indole is sourced from PubChem (CID 23648194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).