9H-pyridazino[6,1-b]quinazoline

C11H9N3 — CID 57171680

IUPAC9H-pyridazino[6,1-b]quinazoline
SMILESC1=CCC2=CN3N=CC=CC3=NC2=C1
InChIInChI=1S/C11H9N3/c1-2-5-10-9(4-1)8-14-11(13-10)6-3-7-12-14/h1-3,5-8H,4H2
InChIKeyGCUBBOOGBXWPNG-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.98
Rot. Bonds

About 9H-pyridazino[6,1-b]quinazoline

9H-pyridazino[6,1-b]quinazoline (PubChem CID 57171680) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 9H-pyridazino[6,1-b]quinazoline.

Molecular Properties

Compound Name9H-pyridazino[6,1-b]quinazoline
PubChem CID57171680
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name9H-pyridazino[6,1-b]quinazoline
SMILESC1=CCC2=CN3N=CC=CC3=NC2=C1
InChIInChI=1S/C11H9N3/c1-2-5-10-9(4-1)8-14-11(13-10)6-3-7-12-14/h1-3,5-8H,4H2
InChIKeyGCUBBOOGBXWPNG-UHFFFAOYSA-N
XLogP1.98
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10Ah-pyridazino[1,6-a]quinazoline
CID 129734206
1H-pyrido[2,1-b]quinazoline
CID 57105532
3H-pyrido[2,1-b]quinazoline
CID 57137694
5-Methyl-6-methylidenepyrido[1,2-b]pyridazine
CID 59284052
7-Methyl-6-methylidenepyrido[1,2-b]pyridazine
CID 59284144
7,8-Dihydrobenzo[b][1,8]naphthyridine
CID 130291489

Frequently Asked Questions

What is the IUPAC name of 9H-pyridazino[6,1-b]quinazoline?
The IUPAC name of 9H-pyridazino[6,1-b]quinazoline (CID 57171680) is 9H-pyridazino[6,1-b]quinazoline.
What is the SMILES notation for 9H-pyridazino[6,1-b]quinazoline?
The canonical SMILES for 9H-pyridazino[6,1-b]quinazoline is C1=CCC2=CN3N=CC=CC3=NC2=C1.
What is the InChIKey of 9H-pyridazino[6,1-b]quinazoline?
The InChIKey is GCUBBOOGBXWPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-2-5-10-9(4-1)8-14-11(13-10)6-3-7-12-14/h1-3,5-8H,4H2.
What are the key properties of 9H-pyridazino[6,1-b]quinazoline?
9H-pyridazino[6,1-b]quinazoline has a molecular weight of 183.21 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-pyridazino[6,1-b]quinazoline is sourced from PubChem (CID 57171680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).