N-(cyanomethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide

C11H13N5O2 — CID 55169119

IUPACN-(cyanomethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide
SMILESN#CCNC(=O)Cn1nc2c(cc1=O)CNCC2
InChIInChI=1S/C11H13N5O2/c12-2-4-14-10(17)7-16-11(18)5-8-6-13-3-1-9(8)15-16/h5,13H,1,3-4,6-7H2,(H,14,17)
InChIKeyYGUUGUUZFYOEKB-UHFFFAOYSA-N
MW247.26 g/mol
LogP-1.47
Rot. Bonds3

About N-(cyanomethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide

N-(cyanomethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide (PubChem CID 55169119) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide
PubChem CID55169119
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-(cyanomethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide
SMILESN#CCNC(=O)Cn1nc2c(cc1=O)CNCC2
InChIInChI=1S/C11H13N5O2/c12-2-4-14-10(17)7-16-11(18)5-8-6-13-3-1-9(8)15-16/h5,13H,1,3-4,6-7H2,(H,14,17)
InChIKeyYGUUGUUZFYOEKB-UHFFFAOYSA-N
XLogP-1.47
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide (CID 55169119) is N-(cyanomethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide is N#CCNC(=O)Cn1nc2c(cc1=O)CNCC2.
What is the InChIKey of N-(cyanomethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
The InChIKey is YGUUGUUZFYOEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c12-2-4-14-10(17)7-16-11(18)5-8-6-13-3-1-9(8)15-16/h5,13H,1,3-4,6-7H2,(H,14,17).
What are the key properties of N-(cyanomethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
N-(cyanomethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide has a molecular weight of 247.26 g/mol, XLogP of -1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide is sourced from PubChem (CID 55169119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).