4-phenyl-5H-pyridazino[4,3-b]indol-3-amine

C16H12N4 — CID 5272072

IUPAC4-phenyl-5H-pyridazino[4,3-b]indol-3-amine
SMILESNc1nnc2c([nH]c3ccccc32)c1-c1ccccc1
InChIInChI=1S/C16H12N4/c17-16-13(10-6-2-1-3-7-10)15-14(19-20-16)11-8-4-5-9-12(11)18-15/h1-9,18H,(H2,17,20)
InChIKeyDHDZFJQQXROKLC-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.36
Rot. Bonds1

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

4-phenyl-5H-pyridazino[4,3-b]indol-3-amine (PubChem CID 5272072) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-phenyl-5H-pyridazino[4,3-b]indol-3-amine.

Molecular Properties

Compound Name4-phenyl-5H-pyridazino[4,3-b]indol-3-amine
PubChem CID5272072
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name4-phenyl-5H-pyridazino[4,3-b]indol-3-amine
SMILESNc1nnc2c([nH]c3ccccc32)c1-c1ccccc1
InChIInChI=1S/C16H12N4/c17-16-13(10-6-2-1-3-7-10)15-14(19-20-16)11-8-4-5-9-12(11)18-15/h1-9,18H,(H2,17,20)
InChIKeyDHDZFJQQXROKLC-UHFFFAOYSA-N
XLogP3.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5H-pyridazino[4,3-b]indol-3-amine?
The IUPAC name of 4-phenyl-5H-pyridazino[4,3-b]indol-3-amine (CID 5272072) is 4-phenyl-5H-pyridazino[4,3-b]indol-3-amine.
What is the SMILES notation for 4-phenyl-5H-pyridazino[4,3-b]indol-3-amine?
The canonical SMILES for 4-phenyl-5H-pyridazino[4,3-b]indol-3-amine is Nc1nnc2c([nH]c3ccccc32)c1-c1ccccc1.
What is the InChIKey of 4-phenyl-5H-pyridazino[4,3-b]indol-3-amine?
The InChIKey is DHDZFJQQXROKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c17-16-13(10-6-2-1-3-7-10)15-14(19-20-16)11-8-4-5-9-12(11)18-15/h1-9,18H,(H2,17,20).
What are the key properties of 4-phenyl-5H-pyridazino[4,3-b]indol-3-amine?
4-phenyl-5H-pyridazino[4,3-b]indol-3-amine has a molecular weight of 260.30 g/mol, XLogP of 3.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5H-pyridazino[4,3-b]indol-3-amine is sourced from PubChem (CID 5272072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).