2-(3-methoxy-5-nitroindazol-1-yl)ethanamine

C10H12N4O3 — CID 171344735

IUPAC2-(3-methoxy-5-nitroindazol-1-yl)ethanamine
SMILESCOc1nn(CCN)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C10H12N4O3/c1-17-10-8-6-7(14(15)16)2-3-9(8)13(12-10)5-4-11/h2-3,6H,4-5,11H2,1H3
InChIKeyBOFNMENLBWVJKZ-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.91
Rot. Bonds4

About 2-(3-methoxy-5-nitroindazol-1-yl)ethanamine

2-(3-methoxy-5-nitroindazol-1-yl)ethanamine (PubChem CID 171344735) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-(3-methoxy-5-nitroindazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxy-5-nitroindazol-1-yl)ethanamine
PubChem CID171344735
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name2-(3-methoxy-5-nitroindazol-1-yl)ethanamine
SMILESCOc1nn(CCN)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C10H12N4O3/c1-17-10-8-6-7(14(15)16)2-3-9(8)13(12-10)5-4-11/h2-3,6H,4-5,11H2,1H3
InChIKeyBOFNMENLBWVJKZ-UHFFFAOYSA-N
XLogP0.91
TPSA96.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-5-nitroindazol-1-yl)ethanamine?
The IUPAC name of 2-(3-methoxy-5-nitroindazol-1-yl)ethanamine (CID 171344735) is 2-(3-methoxy-5-nitroindazol-1-yl)ethanamine.
What is the SMILES notation for 2-(3-methoxy-5-nitroindazol-1-yl)ethanamine?
The canonical SMILES for 2-(3-methoxy-5-nitroindazol-1-yl)ethanamine is COc1nn(CCN)c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 2-(3-methoxy-5-nitroindazol-1-yl)ethanamine?
The InChIKey is BOFNMENLBWVJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-17-10-8-6-7(14(15)16)2-3-9(8)13(12-10)5-4-11/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 2-(3-methoxy-5-nitroindazol-1-yl)ethanamine?
2-(3-methoxy-5-nitroindazol-1-yl)ethanamine has a molecular weight of 236.23 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-5-nitroindazol-1-yl)ethanamine is sourced from PubChem (CID 171344735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).