N-tert-butyl-2-(6-oxopyridazin-1-yl)acetamide

C10H15N3O2 — CID 139772208

IUPACN-tert-butyl-2-(6-oxopyridazin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1ncccc1=O
InChIInChI=1S/C10H15N3O2/c1-10(2,3)12-8(14)7-13-9(15)5-4-6-11-13/h4-6H,7H2,1-3H3,(H,12,14)
InChIKeyYSHAKIPIZQKTMJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.16
Rot. Bonds2

About N-tert-butyl-2-(6-oxopyridazin-1-yl)acetamide

N-tert-butyl-2-(6-oxopyridazin-1-yl)acetamide (PubChem CID 139772208) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-tert-butyl-2-(6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(6-oxopyridazin-1-yl)acetamide
PubChem CID139772208
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-tert-butyl-2-(6-oxopyridazin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1ncccc1=O
InChIInChI=1S/C10H15N3O2/c1-10(2,3)12-8(14)7-13-9(15)5-4-6-11-13/h4-6H,7H2,1-3H3,(H,12,14)
InChIKeyYSHAKIPIZQKTMJ-UHFFFAOYSA-N
XLogP0.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(6-oxopyridazin-1-yl)acetamide (CID 139772208) is N-tert-butyl-2-(6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(6-oxopyridazin-1-yl)acetamide is CC(C)(C)NC(=O)Cn1ncccc1=O.
What is the InChIKey of N-tert-butyl-2-(6-oxopyridazin-1-yl)acetamide?
The InChIKey is YSHAKIPIZQKTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(2,3)12-8(14)7-13-9(15)5-4-6-11-13/h4-6H,7H2,1-3H3,(H,12,14).
What are the key properties of N-tert-butyl-2-(6-oxopyridazin-1-yl)acetamide?
N-tert-butyl-2-(6-oxopyridazin-1-yl)acetamide has a molecular weight of 209.25 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 139772208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).