N-(2-acetamidoethyl)-6-aminopyridazine-3-carboxamide

C9H13N5O2 — CID 62154293

IUPACN-(2-acetamidoethyl)-6-aminopyridazine-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc(N)nn1
InChIInChI=1S/C9H13N5O2/c1-6(15)11-4-5-12-9(16)7-2-3-8(10)14-13-7/h2-3H,4-5H2,1H3,(H2,10,14)(H,11,15)(H,12,16)
InChIKeyHPEJYZYPTFEYAL-UHFFFAOYSA-N
MW223.24 g/mol
LogP-1.08
Rot. Bonds4

About N-(2-acetamidoethyl)-6-aminopyridazine-3-carboxamide

N-(2-acetamidoethyl)-6-aminopyridazine-3-carboxamide (PubChem CID 62154293) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-6-aminopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-6-aminopyridazine-3-carboxamide
PubChem CID62154293
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC NameN-(2-acetamidoethyl)-6-aminopyridazine-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc(N)nn1
InChIInChI=1S/C9H13N5O2/c1-6(15)11-4-5-12-9(16)7-2-3-8(10)14-13-7/h2-3H,4-5H2,1H3,(H2,10,14)(H,11,15)(H,12,16)
InChIKeyHPEJYZYPTFEYAL-UHFFFAOYSA-N
XLogP-1.08
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-1.08
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-amino-N-(2-methylsulfonylethyl)pyridazine-3-carboxamide
CID 62153010
6-amino-N-(5-methoxypentyl)pyridazine-3-carboxamide
CID 114131484
6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
CID 106050158
6-(2-acetamidoethylamino)pyridazine-3-carboxamide
CID 79769956
6-amino-N-(2-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 62152173
6-amino-N-(2-pyrazol-1-ylethyl)pyridazine-3-carboxamide
CID 62186175
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62788552
N-(2-acetamidoethyl)cinnoline-3-carboxamide
CID 110705098
6-amino-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 62156387
6-(2-acetamidoethylamino)-5-aminopyridine-2-carboxamide
CID 114405486
N-(2-acetamidoethyl)-1-methyltriazole-4-carboxamide
CID 110691590

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-6-aminopyridazine-3-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-6-aminopyridazine-3-carboxamide (CID 62154293) is N-(2-acetamidoethyl)-6-aminopyridazine-3-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-6-aminopyridazine-3-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-6-aminopyridazine-3-carboxamide is CC(=O)NCCNC(=O)c1ccc(N)nn1.
What is the InChIKey of N-(2-acetamidoethyl)-6-aminopyridazine-3-carboxamide?
The InChIKey is HPEJYZYPTFEYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-6(15)11-4-5-12-9(16)7-2-3-8(10)14-13-7/h2-3H,4-5H2,1H3,(H2,10,14)(H,11,15)(H,12,16).
What are the key properties of N-(2-acetamidoethyl)-6-aminopyridazine-3-carboxamide?
N-(2-acetamidoethyl)-6-aminopyridazine-3-carboxamide has a molecular weight of 223.24 g/mol, XLogP of -1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-6-aminopyridazine-3-carboxamide is sourced from PubChem (CID 62154293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).