N-(2-acetamidoethyl)-6-oxo-1H-pyridazine-3-carboxamide

C9H12N4O3 — CID 35052158

IUPACN-(2-acetamidoethyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H12N4O3/c1-6(14)10-4-5-11-9(16)7-2-3-8(15)13-12-7/h2-3H,4-5H2,1H3,(H,10,14)(H,11,16)(H,13,15)
InChIKeyJLBTWSLTZSKMCE-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.36
Rot. Bonds4

About N-(2-acetamidoethyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(2-acetamidoethyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 35052158) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID35052158
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC NameN-(2-acetamidoethyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H12N4O3/c1-6(14)10-4-5-11-9(16)7-2-3-8(15)13-12-7/h2-3H,4-5H2,1H3,(H,10,14)(H,11,16)(H,13,15)
InChIKeyJLBTWSLTZSKMCE-UHFFFAOYSA-N
XLogP-1.36
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 35052158) is N-(2-acetamidoethyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-6-oxo-1H-pyridazine-3-carboxamide is CC(=O)NCCNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(2-acetamidoethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is JLBTWSLTZSKMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-6(14)10-4-5-11-9(16)7-2-3-8(15)13-12-7/h2-3H,4-5H2,1H3,(H,10,14)(H,11,16)(H,13,15).
What are the key properties of N-(2-acetamidoethyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(2-acetamidoethyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 224.22 g/mol, XLogP of -1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 35052158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).