[2-[(4-nitroimidazol-1-yl)methyl]-4-pyridinyl]hydrazine

C9H10N6O2 — CID 79259377

IUPAC[2-[(4-nitroimidazol-1-yl)methyl]-4-pyridinyl]hydrazine
SMILESNNc1ccnc(Cn2cnc([N+](=O)[O-])c2)c1
InChIInChI=1S/C9H10N6O2/c10-13-7-1-2-11-8(3-7)4-14-5-9(12-6-14)15(16)17/h1-3,5-6H,4,10H2,(H,11,13)
InChIKeyHGEOYDIHJRWBHP-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.52
Rot. Bonds4

About [2-[(4-nitroimidazol-1-yl)methyl]-4-pyridinyl]hydrazine

[2-[(4-nitroimidazol-1-yl)methyl]-4-pyridinyl]hydrazine (PubChem CID 79259377) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is [2-[(4-nitroimidazol-1-yl)methyl]-4-pyridinyl]hydrazine.

Molecular Properties

Compound Name[2-[(4-nitroimidazol-1-yl)methyl]-4-pyridinyl]hydrazine
PubChem CID79259377
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name[2-[(4-nitroimidazol-1-yl)methyl]-4-pyridinyl]hydrazine
SMILESNNc1ccnc(Cn2cnc([N+](=O)[O-])c2)c1
InChIInChI=1S/C9H10N6O2/c10-13-7-1-2-11-8(3-7)4-14-5-9(12-6-14)15(16)17/h1-3,5-6H,4,10H2,(H,11,13)
InChIKeyHGEOYDIHJRWBHP-UHFFFAOYSA-N
XLogP0.52
TPSA111.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 [2-[(4-nitroimidazol-1-yl)methyl]-4-pyridinyl]hydrazine?
The IUPAC name of [2-[(4-nitroimidazol-1-yl)methyl]-4-pyridinyl]hydrazine (CID 79259377) is [2-[(4-nitroimidazol-1-yl)methyl]-4-pyridinyl]hydrazine.
What is the SMILES notation for [2-[(4-nitroimidazol-1-yl)methyl]-4-pyridinyl]hydrazine?
The canonical SMILES for [2-[(4-nitroimidazol-1-yl)methyl]-4-pyridinyl]hydrazine is NNc1ccnc(Cn2cnc([N+](=O)[O-])c2)c1.
What is the InChIKey of [2-[(4-nitroimidazol-1-yl)methyl]-4-pyridinyl]hydrazine?
The InChIKey is HGEOYDIHJRWBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c10-13-7-1-2-11-8(3-7)4-14-5-9(12-6-14)15(16)17/h1-3,5-6H,4,10H2,(H,11,13).
What are the key properties of [2-[(4-nitroimidazol-1-yl)methyl]-4-pyridinyl]hydrazine?
[2-[(4-nitroimidazol-1-yl)methyl]-4-pyridinyl]hydrazine has a molecular weight of 234.22 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-nitroimidazol-1-yl)methyl]-4-pyridinyl]hydrazine is sourced from PubChem (CID 79259377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).