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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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).