N-ethyl-N-oxido-1H-indazol-7-amine

C9H10N3O- — CID 163876991

IUPACN-ethyl-N-oxido-1H-indazol-7-amine
SMILESCCN([O-])c1cccc2cn[nH]c12
InChIInChI=1S/C9H10N3O/c1-2-12(13)8-5-3-4-7-6-10-11-9(7)8/h3-6H,2H2,1H3,(H,10,11)/q-1
InChIKeyMQTDVBKQDILXIE-UHFFFAOYSA-N
MW176.20 g/mol
LogP1.89
Rot. Bonds2

About N-ethyl-N-oxido-1H-indazol-7-amine

N-ethyl-N-oxido-1H-indazol-7-amine (PubChem CID 163876991) has the molecular formula C9H10N3O- and a molecular weight of 176.20 g/mol. Its IUPAC name is N-ethyl-N-oxido-1H-indazol-7-amine.

Molecular Properties

Compound NameN-ethyl-N-oxido-1H-indazol-7-amine
PubChem CID163876991
Molecular FormulaC9H10N3O-
Molecular Weight176.20 g/mol
Exact Mass176.08
IUPAC NameN-ethyl-N-oxido-1H-indazol-7-amine
SMILESCCN([O-])c1cccc2cn[nH]c12
InChIInChI=1S/C9H10N3O/c1-2-12(13)8-5-3-4-7-6-10-11-9(7)8/h3-6H,2H2,1H3,(H,10,11)/q-1
InChIKeyMQTDVBKQDILXIE-UHFFFAOYSA-N
XLogP1.89
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-1H-indazol-7-amine
CID 43730948
N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine
CID 96741733
7-(2-methylpropyl)-1H-indazole
CID 167194868
N-(2-methylpentyl)-1H-indazol-7-amine
CID 43730763
N-(2-ethylbutyl)-1H-indazol-7-amine
CID 43730884
N-[(2R)-4-methylpentan-2-yl]-1H-indazol-7-amine
CID 93272922
7-methylsulfonyl-1H-indazole
CID 175715509
2-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylethanamine
CID 75518372
N-(2-methylpropyl)-1H-indazol-7-amine
CID 43730878
N-(1H-indazol-7-yl)butanamide
CID 36575526
ethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate
CID 117313880
7-(2-chloroethoxy)-1H-indazole
CID 118514918

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-oxido-1H-indazol-7-amine?
The IUPAC name of N-ethyl-N-oxido-1H-indazol-7-amine (CID 163876991) is N-ethyl-N-oxido-1H-indazol-7-amine.
What is the SMILES notation for N-ethyl-N-oxido-1H-indazol-7-amine?
The canonical SMILES for N-ethyl-N-oxido-1H-indazol-7-amine is CCN([O-])c1cccc2cn[nH]c12.
What is the InChIKey of N-ethyl-N-oxido-1H-indazol-7-amine?
The InChIKey is MQTDVBKQDILXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N3O/c1-2-12(13)8-5-3-4-7-6-10-11-9(7)8/h3-6H,2H2,1H3,(H,10,11)/q-1.
What are the key properties of N-ethyl-N-oxido-1H-indazol-7-amine?
N-ethyl-N-oxido-1H-indazol-7-amine has a molecular weight of 176.20 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-oxido-1H-indazol-7-amine is sourced from PubChem (CID 163876991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).