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

C9H10N4O2 — CID 162721802

IUPAC1-(5-nitroindazol-2-yl)ethanamine
SMILESCC(N)n1cc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C9H10N4O2/c1-6(10)12-5-7-4-8(13(14)15)2-3-9(7)11-12/h2-6H,10H2,1H3
InChIKeySUUQSIPWDTVUMT-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.42
Rot. Bonds2

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

1-(5-nitroindazol-2-yl)ethanamine (PubChem CID 162721802) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-(5-nitroindazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-nitroindazol-2-yl)ethanamine
PubChem CID162721802
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name1-(5-nitroindazol-2-yl)ethanamine
SMILESCC(N)n1cc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C9H10N4O2/c1-6(10)12-5-7-4-8(13(14)15)2-3-9(7)11-12/h2-6H,10H2,1H3
InChIKeySUUQSIPWDTVUMT-UHFFFAOYSA-N
XLogP1.42
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.42
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

4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine
CID 63197337
trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane
CID 11637903
2-(5-nitroindazol-2-yl)ethyl methanesulfonate
CID 118253023
2-(5-bromo-2-pyridinyl)-5-nitroindazole
CID 67126046
4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol
CID 63200961
(1S)-1-(2,4-dinitrophenyl)ethanamine
CID 54102317
4-[2-(5-nitroindazol-2-yl)ethyl]morpholine
CID 23936574
1-(6-nitroquinolin-2-yl)butan-2-amine
CID 63197200
5-nitro-2-(4-phenylbutyl)indazole
CID 66776382
2,4-dibromo-6-nitro-3-propan-2-ylquinoline
CID 86067596
2-chloro-5-nitrobenzotriazole
CID 142674252
N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine
CID 61463580

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitroindazol-2-yl)ethanamine?
The IUPAC name of 1-(5-nitroindazol-2-yl)ethanamine (CID 162721802) is 1-(5-nitroindazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-nitroindazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-nitroindazol-2-yl)ethanamine is CC(N)n1cc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of 1-(5-nitroindazol-2-yl)ethanamine?
The InChIKey is SUUQSIPWDTVUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-6(10)12-5-7-4-8(13(14)15)2-3-9(7)11-12/h2-6H,10H2,1H3.
What are the key properties of 1-(5-nitroindazol-2-yl)ethanamine?
1-(5-nitroindazol-2-yl)ethanamine has a molecular weight of 206.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitroindazol-2-yl)ethanamine is sourced from PubChem (CID 162721802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).