4-(4-fluorophenyl)-5H-pyridazino[4,3-b]indol-3-amine

C16H11FN4 — CID 5272073

IUPAC4-(4-fluorophenyl)-5H-pyridazino[4,3-b]indol-3-amine
SMILESNc1nnc2c([nH]c3ccccc32)c1-c1ccc(F)cc1
InChIInChI=1S/C16H11FN4/c17-10-7-5-9(6-8-10)13-15-14(20-21-16(13)18)11-3-1-2-4-12(11)19-15/h1-8,19H,(H2,18,21)
InChIKeyMEQVZMOWEZYURE-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.50
Rot. Bonds1

About 4-(4-fluorophenyl)-5H-pyridazino[4,3-b]indol-3-amine

4-(4-fluorophenyl)-5H-pyridazino[4,3-b]indol-3-amine (PubChem CID 5272073) has the molecular formula C16H11FN4 and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5H-pyridazino[4,3-b]indol-3-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5H-pyridazino[4,3-b]indol-3-amine
PubChem CID5272073
Molecular FormulaC16H11FN4
Molecular Weight278.29 g/mol
Exact Mass278.10
IUPAC Name4-(4-fluorophenyl)-5H-pyridazino[4,3-b]indol-3-amine
SMILESNc1nnc2c([nH]c3ccccc32)c1-c1ccc(F)cc1
InChIInChI=1S/C16H11FN4/c17-10-7-5-9(6-8-10)13-15-14(20-21-16(13)18)11-3-1-2-4-12(11)19-15/h1-8,19H,(H2,18,21)
InChIKeyMEQVZMOWEZYURE-UHFFFAOYSA-N
XLogP3.50
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5H-pyridazino[4,3-b]indol-3-amine?
The IUPAC name of 4-(4-fluorophenyl)-5H-pyridazino[4,3-b]indol-3-amine (CID 5272073) is 4-(4-fluorophenyl)-5H-pyridazino[4,3-b]indol-3-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-5H-pyridazino[4,3-b]indol-3-amine?
The canonical SMILES for 4-(4-fluorophenyl)-5H-pyridazino[4,3-b]indol-3-amine is Nc1nnc2c([nH]c3ccccc32)c1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5H-pyridazino[4,3-b]indol-3-amine?
The InChIKey is MEQVZMOWEZYURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4/c17-10-7-5-9(6-8-10)13-15-14(20-21-16(13)18)11-3-1-2-4-12(11)19-15/h1-8,19H,(H2,18,21).
What are the key properties of 4-(4-fluorophenyl)-5H-pyridazino[4,3-b]indol-3-amine?
4-(4-fluorophenyl)-5H-pyridazino[4,3-b]indol-3-amine has a molecular weight of 278.29 g/mol, XLogP of 3.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5H-pyridazino[4,3-b]indol-3-amine is sourced from PubChem (CID 5272073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).