6-(2-acetamidoethylamino)pyridazine-3-carboxamide

C9H13N5O2 — CID 79769956

IUPAC6-(2-acetamidoethylamino)pyridazine-3-carboxamide
SMILESCC(=O)NCCNc1ccc(C(N)=O)nn1
InChIInChI=1S/C9H13N5O2/c1-6(15)11-4-5-12-8-3-2-7(9(10)16)13-14-8/h2-3H,4-5H2,1H3,(H2,10,16)(H,11,15)(H,12,14)
InChIKeyCHQKOWPTJAZPIA-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.88
Rot. Bonds5

About 6-(2-acetamidoethylamino)pyridazine-3-carboxamide

6-(2-acetamidoethylamino)pyridazine-3-carboxamide (PubChem CID 79769956) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 6-(2-acetamidoethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-acetamidoethylamino)pyridazine-3-carboxamide
PubChem CID79769956
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name6-(2-acetamidoethylamino)pyridazine-3-carboxamide
SMILESCC(=O)NCCNc1ccc(C(N)=O)nn1
InChIInChI=1S/C9H13N5O2/c1-6(15)11-4-5-12-8-3-2-7(9(10)16)13-14-8/h2-3H,4-5H2,1H3,(H2,10,16)(H,11,15)(H,12,14)
InChIKeyCHQKOWPTJAZPIA-UHFFFAOYSA-N
XLogP-0.88
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(carbamoylamino)ethylamino]-N,N-dimethylpyridazine-3-carboxamide
CID 83114171
6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxamide
CID 112695977
6-(2-acetamidoethylamino)-5-aminopyridine-2-carboxamide
CID 114405486
6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide
CID 115667657
6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide
CID 113246651
N-(2-acetamidoethyl)-6-aminopyridazine-3-carboxamide
CID 62154293
6-(2-thiophen-2-ylethylamino)pyridazine-3-carboxamide
CID 79006069
6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide
CID 102913837
6-(hex-5-ynylamino)pyridazine-3-carboxamide
CID 103757420
6-(3-cyclopropylpropylamino)pyridazine-3-carboxamide
CID 115667673
6-(2-but-3-enoxyethylamino)pyridazine-3-carboxamide
CID 113338947
6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 103724970

Frequently Asked Questions

What is the IUPAC name of 6-(2-acetamidoethylamino)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-acetamidoethylamino)pyridazine-3-carboxamide (CID 79769956) is 6-(2-acetamidoethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-acetamidoethylamino)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-acetamidoethylamino)pyridazine-3-carboxamide is CC(=O)NCCNc1ccc(C(N)=O)nn1.
What is the InChIKey of 6-(2-acetamidoethylamino)pyridazine-3-carboxamide?
The InChIKey is CHQKOWPTJAZPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-6(15)11-4-5-12-8-3-2-7(9(10)16)13-14-8/h2-3H,4-5H2,1H3,(H2,10,16)(H,11,15)(H,12,14).
What are the key properties of 6-(2-acetamidoethylamino)pyridazine-3-carboxamide?
6-(2-acetamidoethylamino)pyridazine-3-carboxamide has a molecular weight of 223.24 g/mol, XLogP of -0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-acetamidoethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 79769956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).