3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline

C11H14N6O3 — CID 106424721

IUPAC3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline
SMILESCc1nc(CCNc2cccc(NN)c2[N+](=O)[O-])no1
InChIInChI=1S/C11H14N6O3/c1-7-14-10(16-20-7)5-6-13-8-3-2-4-9(15-12)11(8)17(18)19/h2-4,13,15H,5-6,12H2,1H3
InChIKeyIPNAQLJWFUKBBK-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.23
Rot. Bonds6

About 3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline

3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline (PubChem CID 106424721) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline.

Molecular Properties

Compound Name3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline
PubChem CID106424721
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline
SMILESCc1nc(CCNc2cccc(NN)c2[N+](=O)[O-])no1
InChIInChI=1S/C11H14N6O3/c1-7-14-10(16-20-7)5-6-13-8-3-2-4-9(15-12)11(8)17(18)19/h2-4,13,15H,5-6,12H2,1H3
InChIKeyIPNAQLJWFUKBBK-UHFFFAOYSA-N
XLogP1.23
TPSA132.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N-methyl-3-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitrobenzene-1,3-diamine
CID 106424176
3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline
CID 80931845
2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-nitroaniline
CID 106418550
3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline
CID 80908222
2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 106424187
1-N-methyl-2-nitro-3-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,3-diamine
CID 106412197
3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline
CID 80914228
3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline
CID 80899703
3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)aniline
CID 80897775
N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine
CID 80919667
2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline
CID 102846338
3-hydrazinyl-N-(5-methylhexyl)-2-nitroaniline
CID 115327795

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline?
The IUPAC name of 3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline (CID 106424721) is 3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline.
What is the SMILES notation for 3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline?
The canonical SMILES for 3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline is Cc1nc(CCNc2cccc(NN)c2[N+](=O)[O-])no1.
What is the InChIKey of 3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline?
The InChIKey is IPNAQLJWFUKBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-7-14-10(16-20-7)5-6-13-8-3-2-4-9(15-12)11(8)17(18)19/h2-4,13,15H,5-6,12H2,1H3.
What are the key properties of 3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline?
3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline has a molecular weight of 278.27 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline is sourced from PubChem (CID 106424721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).