3-nitro-N-[1-(oxolan-3-yl)piperidin-4-yl]imidazo[1,2-b]pyridazin-6-amine

C15H20N6O3 — CID 133421298

IUPAC3-nitro-N-[1-(oxolan-3-yl)piperidin-4-yl]imidazo[1,2-b]pyridazin-6-amine
SMILESO=[N+]([O-])c1cnc2ccc(NC3CCN(C4CCOC4)CC3)nn12
InChIInChI=1S/C15H20N6O3/c22-21(23)15-9-16-14-2-1-13(18-20(14)15)17-11-3-6-19(7-4-11)12-5-8-24-10-12/h1-2,9,11-12H,3-8,10H2,(H,17,18)
InChIKeyRNNXMZAUSYCBKL-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.30
Rot. Bonds4

About 3-nitro-N-[1-(oxolan-3-yl)piperidin-4-yl]imidazo[1,2-b]pyridazin-6-amine

3-nitro-N-[1-(oxolan-3-yl)piperidin-4-yl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 133421298) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-nitro-N-[1-(oxolan-3-yl)piperidin-4-yl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-nitro-N-[1-(oxolan-3-yl)piperidin-4-yl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID133421298
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name3-nitro-N-[1-(oxolan-3-yl)piperidin-4-yl]imidazo[1,2-b]pyridazin-6-amine
SMILESO=[N+]([O-])c1cnc2ccc(NC3CCN(C4CCOC4)CC3)nn12
InChIInChI=1S/C15H20N6O3/c22-21(23)15-9-16-14-2-1-13(18-20(14)15)17-11-3-6-19(7-4-11)12-5-8-24-10-12/h1-2,9,11-12H,3-8,10H2,(H,17,18)
InChIKeyRNNXMZAUSYCBKL-UHFFFAOYSA-N
XLogP1.30
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

3-nitro-N-[3-(oxolan-3-yloxy)propyl]imidazo[1,2-b]pyridazin-6-amine
CID 133419648
3-nitro-N-[1-(oxan-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine
CID 133420474
4-N-cyclopropyl-5-nitro-2-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 97010356
N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133419492
3-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 133420028
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133419757
N-(4-bromo-2-nitrophenyl)-1-(oxolan-3-yl)piperidin-4-amine
CID 133381141
N-(1-methyl-2-phenylpyrrolidin-3-yl)-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 119036114
N-[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 124741006
5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine
CID 133305273
1-morpholin-4-yl-2-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-one
CID 133447554
4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135923073

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[1-(oxolan-3-yl)piperidin-4-yl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-nitro-N-[1-(oxolan-3-yl)piperidin-4-yl]imidazo[1,2-b]pyridazin-6-amine (CID 133421298) is 3-nitro-N-[1-(oxolan-3-yl)piperidin-4-yl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-nitro-N-[1-(oxolan-3-yl)piperidin-4-yl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-nitro-N-[1-(oxolan-3-yl)piperidin-4-yl]imidazo[1,2-b]pyridazin-6-amine is O=[N+]([O-])c1cnc2ccc(NC3CCN(C4CCOC4)CC3)nn12.
What is the InChIKey of 3-nitro-N-[1-(oxolan-3-yl)piperidin-4-yl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is RNNXMZAUSYCBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c22-21(23)15-9-16-14-2-1-13(18-20(14)15)17-11-3-6-19(7-4-11)12-5-8-24-10-12/h1-2,9,11-12H,3-8,10H2,(H,17,18).
What are the key properties of 3-nitro-N-[1-(oxolan-3-yl)piperidin-4-yl]imidazo[1,2-b]pyridazin-6-amine?
3-nitro-N-[1-(oxolan-3-yl)piperidin-4-yl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 332.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[1-(oxolan-3-yl)piperidin-4-yl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 133421298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).