2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol

C16H12N4O — CID 156562186

IUPAC2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol
SMILESNc1nnc(-c2ccccc2O)c2[nH]c3ccccc3c12
InChIInChI=1S/C16H12N4O/c17-16-13-9-5-1-3-7-11(9)18-15(13)14(19-20-16)10-6-2-4-8-12(10)21/h1-8,18,21H,(H2,17,20)
InChIKeyAINWTFKYNIXGCU-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.07
Rot. Bonds1

About 2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol

2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol (PubChem CID 156562186) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol.

Molecular Properties

Compound Name2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol
PubChem CID156562186
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol
SMILESNc1nnc(-c2ccccc2O)c2[nH]c3ccccc3c12
InChIInChI=1S/C16H12N4O/c17-16-13-9-5-1-3-7-11(9)18-15(13)14(19-20-16)10-6-2-4-8-12(10)21/h1-8,18,21H,(H2,17,20)
InChIKeyAINWTFKYNIXGCU-UHFFFAOYSA-N
XLogP3.07
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol?
The IUPAC name of 2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol (CID 156562186) is 2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol.
What is the SMILES notation for 2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol?
The canonical SMILES for 2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol is Nc1nnc(-c2ccccc2O)c2[nH]c3ccccc3c12.
What is the InChIKey of 2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol?
The InChIKey is AINWTFKYNIXGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c17-16-13-9-5-1-3-7-11(9)18-15(13)14(19-20-16)10-6-2-4-8-12(10)21/h1-8,18,21H,(H2,17,20).
What are the key properties of 2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol?
2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol has a molecular weight of 276.30 g/mol, XLogP of 3.07, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol is sourced from PubChem (CID 156562186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).