4,5-diamino-2H-pyridazino[4,5-c]quinolin-1-one

C11H9N5O — CID 10105141

IUPAC4,5-diamino-2H-pyridazino[4,5-c]quinolin-1-one
SMILESNc1n[nH]c(=O)c2c1c(N)nc1ccccc12
InChIInChI=1S/C11H9N5O/c12-9-8-7(11(17)16-15-10(8)13)5-3-1-2-4-6(5)14-9/h1-4H,(H2,12,14)(H2,13,15)(H,16,17)
InChIKeyFQINDVCXCSPQRK-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.64
Rot. Bonds

About 4,5-diamino-2H-pyridazino[4,5-c]quinolin-1-one

4,5-diamino-2H-pyridazino[4,5-c]quinolin-1-one (PubChem CID 10105141) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 4,5-diamino-2H-pyridazino[4,5-c]quinolin-1-one.

Molecular Properties

Compound Name4,5-diamino-2H-pyridazino[4,5-c]quinolin-1-one
PubChem CID10105141
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name4,5-diamino-2H-pyridazino[4,5-c]quinolin-1-one
SMILESNc1n[nH]c(=O)c2c1c(N)nc1ccccc12
InChIInChI=1S/C11H9N5O/c12-9-8-7(11(17)16-15-10(8)13)5-3-1-2-4-6(5)14-9/h1-4H,(H2,12,14)(H2,13,15)(H,16,17)
InChIKeyFQINDVCXCSPQRK-UHFFFAOYSA-N
XLogP0.64
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

ethane;1-propyl-2H-pyrazolo[3,4-c]quinolin-4-amine
CID 143094152
1-amino-5-ethyl-3H-pyridazino[4,5-b]indol-4-one
CID 86575799
3,4-diamino-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
CID 13329158
2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one
CID 136925358
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one
CID 131848680
2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one
CID 136925362
1H-indazol-3-amine;methane
CID 143158036
5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one
CID 670851
1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-c]quinolin-4-amine
CID 160984781
2-amino-3H-quinazolin-4-one;methanedithioic acid
CID 175778802
1H-indazol-3-amine;quinoline
CID 158589437

Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-2H-pyridazino[4,5-c]quinolin-1-one?
The IUPAC name of 4,5-diamino-2H-pyridazino[4,5-c]quinolin-1-one (CID 10105141) is 4,5-diamino-2H-pyridazino[4,5-c]quinolin-1-one.
What is the SMILES notation for 4,5-diamino-2H-pyridazino[4,5-c]quinolin-1-one?
The canonical SMILES for 4,5-diamino-2H-pyridazino[4,5-c]quinolin-1-one is Nc1n[nH]c(=O)c2c1c(N)nc1ccccc12.
What is the InChIKey of 4,5-diamino-2H-pyridazino[4,5-c]quinolin-1-one?
The InChIKey is FQINDVCXCSPQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c12-9-8-7(11(17)16-15-10(8)13)5-3-1-2-4-6(5)14-9/h1-4H,(H2,12,14)(H2,13,15)(H,16,17).
What are the key properties of 4,5-diamino-2H-pyridazino[4,5-c]quinolin-1-one?
4,5-diamino-2H-pyridazino[4,5-c]quinolin-1-one has a molecular weight of 227.23 g/mol, XLogP of 0.64, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-2H-pyridazino[4,5-c]quinolin-1-one is sourced from PubChem (CID 10105141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).