2-amino-6H-pyrimido[4,5-d]pyridazin-5-one

C6H5N5O — CID 175953367

IUPAC2-amino-6H-pyrimido[4,5-d]pyridazin-5-one
SMILESNc1ncc2c(=O)[nH]ncc2n1
InChIInChI=1S/C6H5N5O/c7-6-8-1-3-4(10-6)2-9-11-5(3)12/h1-2H,(H,11,12)(H2,7,8,10)
InChIKeyCEGKDRAINFIUOH-UHFFFAOYSA-N
MW163.14 g/mol
LogP-0.70
Rot. Bonds

About 2-amino-6H-pyrimido[4,5-d]pyridazin-5-one

2-amino-6H-pyrimido[4,5-d]pyridazin-5-one (PubChem CID 175953367) has the molecular formula C6H5N5O and a molecular weight of 163.14 g/mol. Its IUPAC name is 2-amino-6H-pyrimido[4,5-d]pyridazin-5-one.

Molecular Properties

Compound Name2-amino-6H-pyrimido[4,5-d]pyridazin-5-one
PubChem CID175953367
Molecular FormulaC6H5N5O
Molecular Weight163.14 g/mol
Exact Mass163.05
IUPAC Name2-amino-6H-pyrimido[4,5-d]pyridazin-5-one
SMILESNc1ncc2c(=O)[nH]ncc2n1
InChIInChI=1S/C6H5N5O/c7-6-8-1-3-4(10-6)2-9-11-5(3)12/h1-2H,(H,11,12)(H2,7,8,10)
InChIKeyCEGKDRAINFIUOH-UHFFFAOYSA-N
XLogP-0.70
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one
CID 175947397
2-pyridin-2-yl-6H-pyrimido[4,5-d]pyridazin-5-one
CID 71224282
ethane;2-ethyl-6H-pyrido[2,3-d]pyridazin-5-one
CID 145188289
2-amino-5H-pyrido[3,2-d]pyrimidin-6-one;hydrochloride
CID 171477205
2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyridazin-5-one
CID 154521414
2H-pyrido[3,4-d]pyridazin-1-one
CID 10909714
azane;2H-phthalazin-1-one;platinum(2+);dichloride
CID 15950509
5-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-1H-pyridazin-6-one
CID 90708322
6,7-dichloroquinazolin-2-amine
CID 611660
7-ethyl-3-[2-(5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl)propyl]pyrido[4,3-d]triazin-4-one
CID 130277190
2-(diethylamino)-5-oxo-6H-pyrido[2,3-d]pyridazine-3-carboxylic acid
CID 23342248
1H-pyrazolo[4,3-b]pyridin-7-amine;hydrochloride
CID 138040079

Frequently Asked Questions

What is the IUPAC name of 2-amino-6H-pyrimido[4,5-d]pyridazin-5-one?
The IUPAC name of 2-amino-6H-pyrimido[4,5-d]pyridazin-5-one (CID 175953367) is 2-amino-6H-pyrimido[4,5-d]pyridazin-5-one.
What is the SMILES notation for 2-amino-6H-pyrimido[4,5-d]pyridazin-5-one?
The canonical SMILES for 2-amino-6H-pyrimido[4,5-d]pyridazin-5-one is Nc1ncc2c(=O)[nH]ncc2n1.
What is the InChIKey of 2-amino-6H-pyrimido[4,5-d]pyridazin-5-one?
The InChIKey is CEGKDRAINFIUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O/c7-6-8-1-3-4(10-6)2-9-11-5(3)12/h1-2H,(H,11,12)(H2,7,8,10).
What are the key properties of 2-amino-6H-pyrimido[4,5-d]pyridazin-5-one?
2-amino-6H-pyrimido[4,5-d]pyridazin-5-one has a molecular weight of 163.14 g/mol, XLogP of -0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6H-pyrimido[4,5-d]pyridazin-5-one is sourced from PubChem (CID 175953367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).