N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitropyridin-3-amine

C9H9N5O3 — CID 103703201

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitropyridin-3-amine
SMILESCc1nc(CNc2cccnc2[N+](=O)[O-])no1
InChIInChI=1S/C9H9N5O3/c1-6-12-8(13-17-6)5-11-7-3-2-4-10-9(7)14(15)16/h2-4,11H,5H2,1H3
InChIKeyOKOXMTCUMYLZBH-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.29
Rot. Bonds4

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitropyridin-3-amine

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitropyridin-3-amine (PubChem CID 103703201) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitropyridin-3-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitropyridin-3-amine
PubChem CID103703201
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitropyridin-3-amine
SMILESCc1nc(CNc2cccnc2[N+](=O)[O-])no1
InChIInChI=1S/C9H9N5O3/c1-6-12-8(13-17-6)5-11-7-3-2-4-10-9(7)14(15)16/h2-4,11H,5H2,1H3
InChIKeyOKOXMTCUMYLZBH-UHFFFAOYSA-N
XLogP1.29
TPSA106.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.29
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

3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 103748375
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide
CID 114183857
2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine
CID 115586001
N-[2-(2-methylphenyl)ethyl]-2-nitropyridin-3-amine
CID 115585466
3-iodo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-nitroaniline
CID 103703220
6-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 114185580
2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 113252882
N-methyl-2-nitropyridin-3-amine
CID 555983
3-(ethylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-sulfonamide
CID 106407708
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106402593
N-(2,2-dimethoxyethyl)-2-nitropyridin-3-amine
CID 107390155
2-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 115585839

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitropyridin-3-amine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitropyridin-3-amine (CID 103703201) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitropyridin-3-amine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitropyridin-3-amine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitropyridin-3-amine is Cc1nc(CNc2cccnc2[N+](=O)[O-])no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitropyridin-3-amine?
The InChIKey is OKOXMTCUMYLZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c1-6-12-8(13-17-6)5-11-7-3-2-4-10-9(7)14(15)16/h2-4,11H,5H2,1H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitropyridin-3-amine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitropyridin-3-amine has a molecular weight of 235.20 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitropyridin-3-amine is sourced from PubChem (CID 103703201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).