N-[1-[(5-azido-3-pyridinyl)methyl]imidazol-2-yl]nitramide

C9H8N8O2 — CID 11832145

IUPACN-[1-[(5-azido-3-pyridinyl)methyl]imidazol-2-yl]nitramide
SMILES[N-]=[N+]=Nc1cncc(Cn2ccnc2N[N+](=O)[O-])c1
InChIInChI=1S/C9H8N8O2/c10-15-13-8-3-7(4-11-5-8)6-16-2-1-12-9(16)14-17(18)19/h1-5H,6H2,(H,12,14)
InChIKeyQMZUWLNQEVJGKX-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.87
Rot. Bonds5

About N-[1-[(5-azido-3-pyridinyl)methyl]imidazol-2-yl]nitramide

N-[1-[(5-azido-3-pyridinyl)methyl]imidazol-2-yl]nitramide (PubChem CID 11832145) has the molecular formula C9H8N8O2 and a molecular weight of 260.22 g/mol. Its IUPAC name is N-[1-[(5-azido-3-pyridinyl)methyl]imidazol-2-yl]nitramide.

Molecular Properties

Compound NameN-[1-[(5-azido-3-pyridinyl)methyl]imidazol-2-yl]nitramide
PubChem CID11832145
Molecular FormulaC9H8N8O2
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC NameN-[1-[(5-azido-3-pyridinyl)methyl]imidazol-2-yl]nitramide
SMILES[N-]=[N+]=Nc1cncc(Cn2ccnc2N[N+](=O)[O-])c1
InChIInChI=1S/C9H8N8O2/c10-15-13-8-3-7(4-11-5-8)6-16-2-1-12-9(16)14-17(18)19/h1-5H,6H2,(H,12,14)
InChIKeyQMZUWLNQEVJGKX-UHFFFAOYSA-N
XLogP1.87
TPSA134.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-azido-3-pyridinyl)methyl]imidazol-2-yl]nitramide?
The IUPAC name of N-[1-[(5-azido-3-pyridinyl)methyl]imidazol-2-yl]nitramide (CID 11832145) is N-[1-[(5-azido-3-pyridinyl)methyl]imidazol-2-yl]nitramide.
What is the SMILES notation for N-[1-[(5-azido-3-pyridinyl)methyl]imidazol-2-yl]nitramide?
The canonical SMILES for N-[1-[(5-azido-3-pyridinyl)methyl]imidazol-2-yl]nitramide is [N-]=[N+]=Nc1cncc(Cn2ccnc2N[N+](=O)[O-])c1.
What is the InChIKey of N-[1-[(5-azido-3-pyridinyl)methyl]imidazol-2-yl]nitramide?
The InChIKey is QMZUWLNQEVJGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N8O2/c10-15-13-8-3-7(4-11-5-8)6-16-2-1-12-9(16)14-17(18)19/h1-5H,6H2,(H,12,14).
What are the key properties of N-[1-[(5-azido-3-pyridinyl)methyl]imidazol-2-yl]nitramide?
N-[1-[(5-azido-3-pyridinyl)methyl]imidazol-2-yl]nitramide has a molecular weight of 260.22 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-azido-3-pyridinyl)methyl]imidazol-2-yl]nitramide is sourced from PubChem (CID 11832145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).