N-pyrimido[4,5-c]pyridazin-3-ylacetamide

C8H7N5O — CID 68759802

IUPACN-pyrimido[4,5-c]pyridazin-3-ylacetamide
SMILESCC(=O)Nc1cc2cncnc2nn1
InChIInChI=1S/C8H7N5O/c1-5(14)11-7-2-6-3-9-4-10-8(6)13-12-7/h2-4H,1H3,(H,11,12,14)
InChIKeyMNYWWBIJBGARLW-UHFFFAOYSA-N
MW189.18 g/mol
LogP0.38
Rot. Bonds1

About N-pyrimido[4,5-c]pyridazin-3-ylacetamide

N-pyrimido[4,5-c]pyridazin-3-ylacetamide (PubChem CID 68759802) has the molecular formula C8H7N5O and a molecular weight of 189.18 g/mol. Its IUPAC name is N-pyrimido[4,5-c]pyridazin-3-ylacetamide.

Molecular Properties

Compound NameN-pyrimido[4,5-c]pyridazin-3-ylacetamide
PubChem CID68759802
Molecular FormulaC8H7N5O
Molecular Weight189.18 g/mol
Exact Mass189.07
IUPAC NameN-pyrimido[4,5-c]pyridazin-3-ylacetamide
SMILESCC(=O)Nc1cc2cncnc2nn1
InChIInChI=1S/C8H7N5O/c1-5(14)11-7-2-6-3-9-4-10-8(6)13-12-7/h2-4H,1H3,(H,11,12,14)
InChIKeyMNYWWBIJBGARLW-UHFFFAOYSA-N
XLogP0.38
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyrimido[4,5-c]pyridazin-3-ylacetamide?
The IUPAC name of N-pyrimido[4,5-c]pyridazin-3-ylacetamide (CID 68759802) is N-pyrimido[4,5-c]pyridazin-3-ylacetamide.
What is the SMILES notation for N-pyrimido[4,5-c]pyridazin-3-ylacetamide?
The canonical SMILES for N-pyrimido[4,5-c]pyridazin-3-ylacetamide is CC(=O)Nc1cc2cncnc2nn1.
What is the InChIKey of N-pyrimido[4,5-c]pyridazin-3-ylacetamide?
The InChIKey is MNYWWBIJBGARLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O/c1-5(14)11-7-2-6-3-9-4-10-8(6)13-12-7/h2-4H,1H3,(H,11,12,14).
What are the key properties of N-pyrimido[4,5-c]pyridazin-3-ylacetamide?
N-pyrimido[4,5-c]pyridazin-3-ylacetamide has a molecular weight of 189.18 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimido[4,5-c]pyridazin-3-ylacetamide is sourced from PubChem (CID 68759802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).