2-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethylhydrazine

C12H17N7O3 — CID 118930996

IUPAC2-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethylhydrazine
SMILESNNCCN1CCN(c2ccc([N+](=O)[O-])c3nonc23)CC1
InChIInChI=1S/C12H17N7O3/c13-14-3-4-17-5-7-18(8-6-17)9-1-2-10(19(20)21)12-11(9)15-22-16-12/h1-2,14H,3-8,13H2
InChIKeyFVRRVQACVYREKU-UHFFFAOYSA-N
MW307.31 g/mol
LogP-0.28
Rot. Bonds5

About 2-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethylhydrazine

2-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethylhydrazine (PubChem CID 118930996) has the molecular formula C12H17N7O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethylhydrazine.

Molecular Properties

Compound Name2-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethylhydrazine
PubChem CID118930996
Molecular FormulaC12H17N7O3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name2-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethylhydrazine
SMILESNNCCN1CCN(c2ccc([N+](=O)[O-])c3nonc23)CC1
InChIInChI=1S/C12H17N7O3/c13-14-3-4-17-5-7-18(8-6-17)9-1-2-10(19(20)21)12-11(9)15-22-16-12/h1-2,14H,3-8,13H2
InChIKeyFVRRVQACVYREKU-UHFFFAOYSA-N
XLogP-0.28
TPSA126.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

7-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole
CID 178177928
4-nitro-N-(2-pyrrolidin-1-ylethyl)-2,1,3-benzoxadiazol-7-amine
CID 60659961
4-methyl-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidin-4-ol
CID 80702708
1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-3,4-diol
CID 106673485
4-(4-nitro-2,1,3-benzoxadiazol-7-yl)-1-oxidopiperazin-1-ium-1-carbaldehyde
CID 21117406
3-ethyl-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidin-4-amine
CID 81451632
7-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-nitro-2,1,3-benzoxadiazole
CID 60916144
[1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-2-yl]methanamine
CID 115313251
6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexyl 4-oxo-4-(2-pyrrolidin-1-ylethylamino)butanoate
CID 162675405
3-[2,2-bis[[3-[[2-[hydroxy(methyl)amino]-2-oxoethyl]amino]-3-oxopropoxy]methyl]-3-[3-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]-3-oxopropoxy]propoxy]-N-[2-[hydroxy(methyl)amino]-2-oxoethyl]propanamide
CID 11981246
N-(2-methoxyethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 43395012
N-(cyclobutylmethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 43329354

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethylhydrazine?
The IUPAC name of 2-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethylhydrazine (CID 118930996) is 2-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethylhydrazine.
What is the SMILES notation for 2-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethylhydrazine?
The canonical SMILES for 2-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethylhydrazine is NNCCN1CCN(c2ccc([N+](=O)[O-])c3nonc23)CC1.
What is the InChIKey of 2-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethylhydrazine?
The InChIKey is FVRRVQACVYREKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O3/c13-14-3-4-17-5-7-18(8-6-17)9-1-2-10(19(20)21)12-11(9)15-22-16-12/h1-2,14H,3-8,13H2.
What are the key properties of 2-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethylhydrazine?
2-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethylhydrazine has a molecular weight of 307.31 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethylhydrazine is sourced from PubChem (CID 118930996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).