[5-[(4-nitropyrazol-1-yl)methyl]pyrazin-2-yl]hydrazine

C8H9N7O2 — CID 103061286

IUPAC[5-[(4-nitropyrazol-1-yl)methyl]pyrazin-2-yl]hydrazine
SMILESNNc1cnc(Cn2cc([N+](=O)[O-])cn2)cn1
InChIInChI=1S/C8H9N7O2/c9-13-8-3-10-6(1-11-8)4-14-5-7(2-12-14)15(16)17/h1-3,5H,4,9H2,(H,11,13)
InChIKeyVCOAILCAICYEOW-UHFFFAOYSA-N
MW235.21 g/mol
LogP-0.08
Rot. Bonds4

About [5-[(4-nitropyrazol-1-yl)methyl]pyrazin-2-yl]hydrazine

[5-[(4-nitropyrazol-1-yl)methyl]pyrazin-2-yl]hydrazine (PubChem CID 103061286) has the molecular formula C8H9N7O2 and a molecular weight of 235.21 g/mol. Its IUPAC name is [5-[(4-nitropyrazol-1-yl)methyl]pyrazin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(4-nitropyrazol-1-yl)methyl]pyrazin-2-yl]hydrazine
PubChem CID103061286
Molecular FormulaC8H9N7O2
Molecular Weight235.21 g/mol
Exact Mass235.08
IUPAC Name[5-[(4-nitropyrazol-1-yl)methyl]pyrazin-2-yl]hydrazine
SMILESNNc1cnc(Cn2cc([N+](=O)[O-])cn2)cn1
InChIInChI=1S/C8H9N7O2/c9-13-8-3-10-6(1-11-8)4-14-5-7(2-12-14)15(16)17/h1-3,5H,4,9H2,(H,11,13)
InChIKeyVCOAILCAICYEOW-UHFFFAOYSA-N
XLogP-0.08
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of [5-[(4-nitropyrazol-1-yl)methyl]pyrazin-2-yl]hydrazine?
The IUPAC name of [5-[(4-nitropyrazol-1-yl)methyl]pyrazin-2-yl]hydrazine (CID 103061286) is [5-[(4-nitropyrazol-1-yl)methyl]pyrazin-2-yl]hydrazine.
What is the SMILES notation for [5-[(4-nitropyrazol-1-yl)methyl]pyrazin-2-yl]hydrazine?
The canonical SMILES for [5-[(4-nitropyrazol-1-yl)methyl]pyrazin-2-yl]hydrazine is NNc1cnc(Cn2cc([N+](=O)[O-])cn2)cn1.
What is the InChIKey of [5-[(4-nitropyrazol-1-yl)methyl]pyrazin-2-yl]hydrazine?
The InChIKey is VCOAILCAICYEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7O2/c9-13-8-3-10-6(1-11-8)4-14-5-7(2-12-14)15(16)17/h1-3,5H,4,9H2,(H,11,13).
What are the key properties of [5-[(4-nitropyrazol-1-yl)methyl]pyrazin-2-yl]hydrazine?
[5-[(4-nitropyrazol-1-yl)methyl]pyrazin-2-yl]hydrazine has a molecular weight of 235.21 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-nitropyrazol-1-yl)methyl]pyrazin-2-yl]hydrazine is sourced from PubChem (CID 103061286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).