N,N-dimethyl-2-[(5-nitro-1H-indazol-6-yl)oxy]ethanamine

C11H14N4O3 — CID 118096113

IUPACN,N-dimethyl-2-[(5-nitro-1H-indazol-6-yl)oxy]ethanamine
SMILESCN(C)CCOc1cc2[nH]ncc2cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O3/c1-14(2)3-4-18-11-6-9-8(7-12-13-9)5-10(11)15(16)17/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyFKSOVUMORYZKKM-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.41
Rot. Bonds5

About N,N-dimethyl-2-[(5-nitro-1H-indazol-6-yl)oxy]ethanamine

N,N-dimethyl-2-[(5-nitro-1H-indazol-6-yl)oxy]ethanamine (PubChem CID 118096113) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is N,N-dimethyl-2-[(5-nitro-1H-indazol-6-yl)oxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(5-nitro-1H-indazol-6-yl)oxy]ethanamine
PubChem CID118096113
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC NameN,N-dimethyl-2-[(5-nitro-1H-indazol-6-yl)oxy]ethanamine
SMILESCN(C)CCOc1cc2[nH]ncc2cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O3/c1-14(2)3-4-18-11-6-9-8(7-12-13-9)5-10(11)15(16)17/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyFKSOVUMORYZKKM-UHFFFAOYSA-N
XLogP1.41
TPSA84.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

6-(4-chlorobutoxy)-5-nitro-1H-indazole
CID 118060833
2-[(5-nitro-1H-indazol-6-yl)oxy]ethylcarbamic acid
CID 118095906
N-methyl-5-nitro-N-propan-2-yl-1H-indazol-6-amine
CID 118096232
3-[4-[2-(dimethylamino)ethoxy]-3-nitrophenyl]-1,2,4-oxadiazol-5-amine
CID 82358622
methyl 3-[2-(dimethylamino)ethoxy]-4-nitrobenzoate
CID 113223309
N,N-diethyl-2-[2-(1H-indazol-5-yl)-5-nitrophenoxy]ethanamine
CID 90798498
N,N-dimethyl-2-[2-nitro-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]ethanamine
CID 178075374
6-nitro-1H-indazole-5-carbonitrile
CID 76846367
N-[[3-[2-(dimethylamino)ethoxy]-4-nitrophenyl]methyl]cyclopropanamine
CID 62115529
N-[[4-[2-(dimethylamino)ethoxy]-3-nitrophenyl]methyl]-2-methylpropan-2-amine
CID 63056015
[4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol
CID 43311741
7-(2-methoxyethoxy)-6-nitroquinazoline
CID 86758317

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(5-nitro-1H-indazol-6-yl)oxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(5-nitro-1H-indazol-6-yl)oxy]ethanamine (CID 118096113) is N,N-dimethyl-2-[(5-nitro-1H-indazol-6-yl)oxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(5-nitro-1H-indazol-6-yl)oxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(5-nitro-1H-indazol-6-yl)oxy]ethanamine is CN(C)CCOc1cc2[nH]ncc2cc1[N+](=O)[O-].
What is the InChIKey of N,N-dimethyl-2-[(5-nitro-1H-indazol-6-yl)oxy]ethanamine?
The InChIKey is FKSOVUMORYZKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-14(2)3-4-18-11-6-9-8(7-12-13-9)5-10(11)15(16)17/h5-7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of N,N-dimethyl-2-[(5-nitro-1H-indazol-6-yl)oxy]ethanamine?
N,N-dimethyl-2-[(5-nitro-1H-indazol-6-yl)oxy]ethanamine has a molecular weight of 250.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(5-nitro-1H-indazol-6-yl)oxy]ethanamine is sourced from PubChem (CID 118096113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).