N,2,2-trimethyl-3-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propanamide

C12H16N6O3 — CID 133421643

IUPACN,2,2-trimethyl-3-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propanamide
SMILESCNC(=O)C(C)(C)CNc1ccc2ncc([N+](=O)[O-])n2n1
InChIInChI=1S/C12H16N6O3/c1-12(2,11(19)13-3)7-15-8-4-5-9-14-6-10(18(20)21)17(9)16-8/h4-6H,7H2,1-3H3,(H,13,19)(H,15,16)
InChIKeySNHSCIWIAZIKRX-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.82
Rot. Bonds5

About N,2,2-trimethyl-3-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propanamide

N,2,2-trimethyl-3-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propanamide (PubChem CID 133421643) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propanamide
PubChem CID133421643
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC NameN,2,2-trimethyl-3-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propanamide
SMILESCNC(=O)C(C)(C)CNc1ccc2ncc([N+](=O)[O-])n2n1
InChIInChI=1S/C12H16N6O3/c1-12(2,11(19)13-3)7-15-8-4-5-9-14-6-10(18(20)21)17(9)16-8/h4-6H,7H2,1-3H3,(H,13,19)(H,15,16)
InChIKeySNHSCIWIAZIKRX-UHFFFAOYSA-N
XLogP0.82
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propanamide (CID 133421643) is N,2,2-trimethyl-3-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propanamide is CNC(=O)C(C)(C)CNc1ccc2ncc([N+](=O)[O-])n2n1.
What is the InChIKey of N,2,2-trimethyl-3-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propanamide?
The InChIKey is SNHSCIWIAZIKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c1-12(2,11(19)13-3)7-15-8-4-5-9-14-6-10(18(20)21)17(9)16-8/h4-6H,7H2,1-3H3,(H,13,19)(H,15,16).
What are the key properties of N,2,2-trimethyl-3-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propanamide?
N,2,2-trimethyl-3-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propanamide has a molecular weight of 292.30 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propanamide is sourced from PubChem (CID 133421643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).