[3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine

C13H19N5O2 — CID 80900424

IUPAC[3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine
SMILESNNc1cccc(N2CCN(C3CC3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N5O2/c14-15-11-2-1-3-12(13(11)18(19)20)17-8-6-16(7-9-17)10-4-5-10/h1-3,10,15H,4-9,14H2
InChIKeyVHWRKUXSENQZKY-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.16
Rot. Bonds4

About [3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine

[3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine (PubChem CID 80900424) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is [3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine
PubChem CID80900424
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name[3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine
SMILESNNc1cccc(N2CCN(C3CC3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N5O2/c14-15-11-2-1-3-12(13(11)18(19)20)17-8-6-16(7-9-17)10-4-5-10/h1-3,10,15H,4-9,14H2
InChIKeyVHWRKUXSENQZKY-UHFFFAOYSA-N
XLogP1.16
TPSA87.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine?
The IUPAC name of [3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine (CID 80900424) is [3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine.
What is the SMILES notation for [3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine?
The canonical SMILES for [3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine is NNc1cccc(N2CCN(C3CC3)CC2)c1[N+](=O)[O-].
What is the InChIKey of [3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine?
The InChIKey is VHWRKUXSENQZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c14-15-11-2-1-3-12(13(11)18(19)20)17-8-6-16(7-9-17)10-4-5-10/h1-3,10,15H,4-9,14H2.
What are the key properties of [3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine?
[3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine has a molecular weight of 277.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine is sourced from PubChem (CID 80900424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).