(2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol

C13H18N6O3 — CID 133486323

IUPAC(2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1
InChIInChI=1S/C13H18N6O3/c1-10(20)9-16-4-6-17(7-5-16)12-3-2-11-14-8-13(19(21)22)18(11)15-12/h2-3,8,10,20H,4-7,9H2,1H3/t10-/m1/s1
InChIKeyHRORRTWAEAKWBU-SNVBAGLBSA-N
MW306.33 g/mol
LogP0.14
Rot. Bonds4

About (2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol

(2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol (PubChem CID 133486323) has the molecular formula C13H18N6O3 and a molecular weight of 306.33 g/mol. Its IUPAC name is (2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol
PubChem CID133486323
Molecular FormulaC13H18N6O3
Molecular Weight306.33 g/mol
Exact Mass306.14
IUPAC Name(2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1
InChIInChI=1S/C13H18N6O3/c1-10(20)9-16-4-6-17(7-5-16)12-3-2-11-14-8-13(19(21)22)18(11)15-12/h2-3,8,10,20H,4-7,9H2,1H3/t10-/m1/s1
InChIKeyHRORRTWAEAKWBU-SNVBAGLBSA-N
XLogP0.14
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 50.14
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-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 71908110
2-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 133419569
6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-nitroimidazo[1,2-b]pyridazine
CID 133420977
6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine
CID 133480952
(2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol
CID 136583777
6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitroimidazo[1,2-b]pyridazine
CID 133432489
(2S)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-2-ol
CID 66710890
5,7-difluoro-2-(3-nitroimidazo[1,2-b]pyridazin-6-yl)-3,4-dihydro-1H-isoquinoline
CID 133421030
4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133421191
3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 133421452
3-nitro-6-(3-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine
CID 133420016
(2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol
CID 133486332

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol (CID 133486323) is (2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol is C[C@@H](O)CN1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1.
What is the InChIKey of (2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is HRORRTWAEAKWBU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N6O3/c1-10(20)9-16-4-6-17(7-5-16)12-3-2-11-14-8-13(19(21)22)18(11)15-12/h2-3,8,10,20H,4-7,9H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol?
(2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 306.33 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 133486323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).