N-(3-azidophenyl)-N-methylnitrous amide

C7H7N5O — CID 101333106

IUPACN-(3-azidophenyl)-N-methylnitrous amide
SMILESCN(N=O)c1cccc(N=[N+]=[N-])c1
InChIInChI=1S/C7H7N5O/c1-12(11-13)7-4-2-3-6(5-7)9-10-8/h2-5H,1H3
InChIKeyZKOMIPJSBGARTN-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.75
Rot. Bonds3

About N-(3-azidophenyl)-N-methylnitrous amide

N-(3-azidophenyl)-N-methylnitrous amide (PubChem CID 101333106) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is N-(3-azidophenyl)-N-methylnitrous amide.

Molecular Properties

Compound NameN-(3-azidophenyl)-N-methylnitrous amide
PubChem CID101333106
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC NameN-(3-azidophenyl)-N-methylnitrous amide
SMILESCN(N=O)c1cccc(N=[N+]=[N-])c1
InChIInChI=1S/C7H7N5O/c1-12(11-13)7-4-2-3-6(5-7)9-10-8/h2-5H,1H3
InChIKeyZKOMIPJSBGARTN-UHFFFAOYSA-N
XLogP2.75
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'N-nitroso', '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 N-(3-azidophenyl)-N-methylnitrous amide?
The IUPAC name of N-(3-azidophenyl)-N-methylnitrous amide (CID 101333106) is N-(3-azidophenyl)-N-methylnitrous amide.
What is the SMILES notation for N-(3-azidophenyl)-N-methylnitrous amide?
The canonical SMILES for N-(3-azidophenyl)-N-methylnitrous amide is CN(N=O)c1cccc(N=[N+]=[N-])c1.
What is the InChIKey of N-(3-azidophenyl)-N-methylnitrous amide?
The InChIKey is ZKOMIPJSBGARTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c1-12(11-13)7-4-2-3-6(5-7)9-10-8/h2-5H,1H3.
What are the key properties of N-(3-azidophenyl)-N-methylnitrous amide?
N-(3-azidophenyl)-N-methylnitrous amide has a molecular weight of 177.17 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidophenyl)-N-methylnitrous amide is sourced from PubChem (CID 101333106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).