5-nitro-1-(6-piperazin-1-ylpyridazin-3-yl)-2,3-dihydroindole

C16H18N6O2 — CID 59277047

IUPAC5-nitro-1-(6-piperazin-1-ylpyridazin-3-yl)-2,3-dihydroindole
SMILESO=[N+]([O-])c1ccc2c(c1)CCN2c1ccc(N2CCNCC2)nn1
InChIInChI=1S/C16H18N6O2/c23-22(24)13-1-2-14-12(11-13)5-8-21(14)16-4-3-15(18-19-16)20-9-6-17-7-10-20/h1-4,11,17H,5-10H2
InChIKeyIWEMEZZQXIWGCN-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.49
Rot. Bonds3

About 5-nitro-1-(6-piperazin-1-ylpyridazin-3-yl)-2,3-dihydroindole

5-nitro-1-(6-piperazin-1-ylpyridazin-3-yl)-2,3-dihydroindole (PubChem CID 59277047) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-nitro-1-(6-piperazin-1-ylpyridazin-3-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name5-nitro-1-(6-piperazin-1-ylpyridazin-3-yl)-2,3-dihydroindole
PubChem CID59277047
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name5-nitro-1-(6-piperazin-1-ylpyridazin-3-yl)-2,3-dihydroindole
SMILESO=[N+]([O-])c1ccc2c(c1)CCN2c1ccc(N2CCNCC2)nn1
InChIInChI=1S/C16H18N6O2/c23-22(24)13-1-2-14-12(11-13)5-8-21(14)16-4-3-15(18-19-16)20-9-6-17-7-10-20/h1-4,11,17H,5-10H2
InChIKeyIWEMEZZQXIWGCN-UHFFFAOYSA-N
XLogP1.49
TPSA87.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
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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Related Compounds

3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine
CID 75359389
1-[4-nitro-2-(1,2,4-triazol-4-yl)phenyl]piperazine
CID 56737324
1-(2-tert-butyl-4-nitrophenyl)piperazine
CID 139271864
6-nitro-2,3-di(piperazin-1-yl)quinoxaline
CID 5009613
5-nitro-2,3-dihydroindole-1-carbothioamide
CID 59276829
2-methyl-4-(5-nitro-2,3-dihydroindol-1-yl)quinazoline
CID 143177758
6-nitro-2-piperazin-1-yl-1,3-benzoxazole
CID 79883049
1-(3-nitrophenyl)piperazine
CID 2760216
2-(5-nitro-2-piperazin-1-ylphenyl)pyrimidine-4,5-diamine
CID 175308843
1-methylsulfonyl-5-nitro-2,3-dihydroindole
CID 2918213
2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde
CID 43089612
2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-7-nitro-3,4-dihydro-1H-isoquinoline
CID 133350245

Frequently Asked Questions

What is the IUPAC name of 5-nitro-1-(6-piperazin-1-ylpyridazin-3-yl)-2,3-dihydroindole?
The IUPAC name of 5-nitro-1-(6-piperazin-1-ylpyridazin-3-yl)-2,3-dihydroindole (CID 59277047) is 5-nitro-1-(6-piperazin-1-ylpyridazin-3-yl)-2,3-dihydroindole.
What is the SMILES notation for 5-nitro-1-(6-piperazin-1-ylpyridazin-3-yl)-2,3-dihydroindole?
The canonical SMILES for 5-nitro-1-(6-piperazin-1-ylpyridazin-3-yl)-2,3-dihydroindole is O=[N+]([O-])c1ccc2c(c1)CCN2c1ccc(N2CCNCC2)nn1.
What is the InChIKey of 5-nitro-1-(6-piperazin-1-ylpyridazin-3-yl)-2,3-dihydroindole?
The InChIKey is IWEMEZZQXIWGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c23-22(24)13-1-2-14-12(11-13)5-8-21(14)16-4-3-15(18-19-16)20-9-6-17-7-10-20/h1-4,11,17H,5-10H2.
What are the key properties of 5-nitro-1-(6-piperazin-1-ylpyridazin-3-yl)-2,3-dihydroindole?
5-nitro-1-(6-piperazin-1-ylpyridazin-3-yl)-2,3-dihydroindole has a molecular weight of 326.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1-(6-piperazin-1-ylpyridazin-3-yl)-2,3-dihydroindole is sourced from PubChem (CID 59277047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).