3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine

C9H9N5O3 — CID 113253242

IUPAC3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCCc1ncno1
InChIInChI=1S/C9H9N5O3/c15-14(16)7-2-1-4-10-9(7)11-5-3-8-12-6-13-17-8/h1-2,4,6H,3,5H2,(H,10,11)
InChIKeyXMFUEHNAMOPURC-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.03
Rot. Bonds5

About 3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine

3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine (PubChem CID 113253242) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
PubChem CID113253242
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCCc1ncno1
InChIInChI=1S/C9H9N5O3/c15-14(16)7-2-1-4-10-9(7)11-5-3-8-12-6-13-17-8/h1-2,4,6H,3,5H2,(H,10,11)
InChIKeyXMFUEHNAMOPURC-UHFFFAOYSA-N
XLogP1.03
TPSA106.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.03
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

2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine
CID 106393561
N-[2-(4-ethylphenyl)ethyl]-3-nitropyridin-2-amine
CID 133304898
N-(3-nitro-2-pyridinyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 52664309
3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride
CID 71299310
4-[2-[(3-nitro-2-pyridinyl)amino]ethyl]benzoic acid
CID 43227037
N-[2-(3-chlorophenyl)ethyl]-3-nitropyridin-2-amine
CID 9250600
4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile
CID 104858349
N-[(2-fluoro-3-nitrophenyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399944
4-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)aniline
CID 103744326
4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 106403735
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 114184452

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine (CID 113253242) is 3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine is O=[N+]([O-])c1cccnc1NCCc1ncno1.
What is the InChIKey of 3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine?
The InChIKey is XMFUEHNAMOPURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c15-14(16)7-2-1-4-10-9(7)11-5-3-8-12-6-13-17-8/h1-2,4,6H,3,5H2,(H,10,11).
What are the key properties of 3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine?
3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine has a molecular weight of 235.20 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 113253242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).