2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide

C11H18N4O2 — CID 103218399

IUPAC2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1ncc(N)cc1=O
InChIInChI=1S/C11H18N4O2/c1-8(2)3-4-13-10(16)7-15-11(17)5-9(12)6-14-15/h5-6,8H,3-4,7,12H2,1-2H3,(H,13,16)
InChIKeyFNUWAMCJGXNMCS-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.01
Rot. Bonds5

About 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide

2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide (PubChem CID 103218399) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide
PubChem CID103218399
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1ncc(N)cc1=O
InChIInChI=1S/C11H18N4O2/c1-8(2)3-4-13-10(16)7-15-11(17)5-9(12)6-14-15/h5-6,8H,3-4,7,12H2,1-2H3,(H,13,16)
InChIKeyFNUWAMCJGXNMCS-UHFFFAOYSA-N
XLogP-0.01
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide (CID 103218399) is 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)Cn1ncc(N)cc1=O.
What is the InChIKey of 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is FNUWAMCJGXNMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8(2)3-4-13-10(16)7-15-11(17)5-9(12)6-14-15/h5-6,8H,3-4,7,12H2,1-2H3,(H,13,16).
What are the key properties of 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide?
2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 238.29 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 103218399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).