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

C9H9N5O3 — CID 113253354

IUPAC5-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCCc2ncon2)nc1
InChIInChI=1S/C9H9N5O3/c15-14(16)7-1-2-8(11-5-7)10-4-3-9-12-6-17-13-9/h1-2,5-6H,3-4H2,(H,10,11)
InChIKeyYGWMEIPTEGYINX-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.03
Rot. Bonds5

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

5-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine (PubChem CID 113253354) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 5-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine
PubChem CID113253354
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name5-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCCc2ncon2)nc1
InChIInChI=1S/C9H9N5O3/c15-14(16)7-1-2-8(11-5-7)10-4-3-9-12-6-17-13-9/h1-2,5-6H,3-4H2,(H,10,11)
InChIKeyYGWMEIPTEGYINX-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-methyl-4-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]aniline
CID 106404427
N-[(4-nitrophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395819
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
CID 141018206
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 141044426
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-nitropyridin-2-amine
CID 16564066
N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 2849092
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
N-[2-(2,4-dichlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 28514790
N-[2-(3-chlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 18194894
N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62663238
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-nitropyridin-2-amine
CID 133295463
1-N-methyl-2-nitro-3-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,3-diamine
CID 106412197

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine (CID 113253354) is 5-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine is O=[N+]([O-])c1ccc(NCCc2ncon2)nc1.
What is the InChIKey of 5-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine?
The InChIKey is YGWMEIPTEGYINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c15-14(16)7-1-2-8(11-5-7)10-4-3-9-12-6-17-13-9/h1-2,5-6H,3-4H2,(H,10,11).
What are the key properties of 5-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine?
5-nitro-N-[2-(1,2,4-oxadiazol-3-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 5-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 113253354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).