N-(3-amino-6-oxo-1H-pyridazin-5-yl)acetamide

C6H8N4O2 — CID 15369454

IUPACN-(3-amino-6-oxo-1H-pyridazin-5-yl)acetamide
SMILESCC(=O)Nc1cc(N)n[nH]c1=O
InChIInChI=1S/C6H8N4O2/c1-3(11)8-4-2-5(7)9-10-6(4)12/h2H,1H3,(H,10,12)(H3,7,8,9,11)
InChIKeyZEJWRLPQDNTXKA-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.69
Rot. Bonds1

About N-(3-amino-6-oxo-1H-pyridazin-5-yl)acetamide

N-(3-amino-6-oxo-1H-pyridazin-5-yl)acetamide (PubChem CID 15369454) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is N-(3-amino-6-oxo-1H-pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-6-oxo-1H-pyridazin-5-yl)acetamide
PubChem CID15369454
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC NameN-(3-amino-6-oxo-1H-pyridazin-5-yl)acetamide
SMILESCC(=O)Nc1cc(N)n[nH]c1=O
InChIInChI=1S/C6H8N4O2/c1-3(11)8-4-2-5(7)9-10-6(4)12/h2H,1H3,(H,10,12)(H3,7,8,9,11)
InChIKeyZEJWRLPQDNTXKA-UHFFFAOYSA-N
XLogP-0.69
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-6-oxo-1H-pyridazin-5-yl)acetamide?
The IUPAC name of N-(3-amino-6-oxo-1H-pyridazin-5-yl)acetamide (CID 15369454) is N-(3-amino-6-oxo-1H-pyridazin-5-yl)acetamide.
What is the SMILES notation for N-(3-amino-6-oxo-1H-pyridazin-5-yl)acetamide?
The canonical SMILES for N-(3-amino-6-oxo-1H-pyridazin-5-yl)acetamide is CC(=O)Nc1cc(N)n[nH]c1=O.
What is the InChIKey of N-(3-amino-6-oxo-1H-pyridazin-5-yl)acetamide?
The InChIKey is ZEJWRLPQDNTXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-3(11)8-4-2-5(7)9-10-6(4)12/h2H,1H3,(H,10,12)(H3,7,8,9,11).
What are the key properties of N-(3-amino-6-oxo-1H-pyridazin-5-yl)acetamide?
N-(3-amino-6-oxo-1H-pyridazin-5-yl)acetamide has a molecular weight of 168.16 g/mol, XLogP of -0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-6-oxo-1H-pyridazin-5-yl)acetamide is sourced from PubChem (CID 15369454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).