3-nitro-N-[(1-phenylcyclopentyl)methyl]imidazo[1,2-b]pyridazin-6-amine

C18H19N5O2 — CID 133434229

IUPAC3-nitro-N-[(1-phenylcyclopentyl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESO=[N+]([O-])c1cnc2ccc(NCC3(c4ccccc4)CCCC3)nn12
InChIInChI=1S/C18H19N5O2/c24-23(25)17-12-19-16-9-8-15(21-22(16)17)20-13-18(10-4-5-11-18)14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,20,21)
InChIKeySILFLQPWYQFHER-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.56
Rot. Bonds5

About 3-nitro-N-[(1-phenylcyclopentyl)methyl]imidazo[1,2-b]pyridazin-6-amine

3-nitro-N-[(1-phenylcyclopentyl)methyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 133434229) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-nitro-N-[(1-phenylcyclopentyl)methyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-nitro-N-[(1-phenylcyclopentyl)methyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID133434229
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-nitro-N-[(1-phenylcyclopentyl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESO=[N+]([O-])c1cnc2ccc(NCC3(c4ccccc4)CCCC3)nn12
InChIInChI=1S/C18H19N5O2/c24-23(25)17-12-19-16-9-8-15(21-22(16)17)20-13-18(10-4-5-11-18)14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,20,21)
InChIKeySILFLQPWYQFHER-UHFFFAOYSA-N
XLogP3.56
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

N,2,2-trimethyl-3-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propanamide
CID 133421643
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133418579
N-[(3-ethylthiophen-2-yl)methyl]-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133419438
3-nitro-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 133420120
N-[2-(1H-indol-2-yl)ethyl]-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133421457
N-(2-imidazol-1-ylethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 75522198
5-nitro-2-N-[(1-phenylcyclopentyl)methyl]pyrimidine-2,4-diamine
CID 60501528
N-(1,4-dithian-2-ylmethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133419178
N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133473329
N-[(2-methoxynaphthalen-1-yl)methyl]-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 99703474
3-[[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]methyl]pentan-1-ol
CID 133419413
3-[(2R)-oxolan-2-yl]-N-[(1-phenylcyclobutyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95977921

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[(1-phenylcyclopentyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-nitro-N-[(1-phenylcyclopentyl)methyl]imidazo[1,2-b]pyridazin-6-amine (CID 133434229) is 3-nitro-N-[(1-phenylcyclopentyl)methyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-nitro-N-[(1-phenylcyclopentyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-nitro-N-[(1-phenylcyclopentyl)methyl]imidazo[1,2-b]pyridazin-6-amine is O=[N+]([O-])c1cnc2ccc(NCC3(c4ccccc4)CCCC3)nn12.
What is the InChIKey of 3-nitro-N-[(1-phenylcyclopentyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is SILFLQPWYQFHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-23(25)17-12-19-16-9-8-15(21-22(16)17)20-13-18(10-4-5-11-18)14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,20,21).
What are the key properties of 3-nitro-N-[(1-phenylcyclopentyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
3-nitro-N-[(1-phenylcyclopentyl)methyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 337.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[(1-phenylcyclopentyl)methyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 133434229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).