acetylene;N-(azidomethyl)acetamide

C5H8N4O — CID 162124086

IUPACacetylene;N-(azidomethyl)acetamide
SMILESC#C.CC(=O)NCN=[N+]=[N-]
InChIInChI=1S/C3H6N4O.C2H2/c1-3(8)5-2-6-7-4;1-2/h2H2,1H3,(H,5,8);1-2H
InChIKeyZHUJKRZIGBJNFD-UHFFFAOYSA-N
MW140.15 g/mol
LogP0.64
Rot. Bonds2

About acetylene;N-(azidomethyl)acetamide

acetylene;N-(azidomethyl)acetamide (PubChem CID 162124086) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is acetylene;N-(azidomethyl)acetamide.

Molecular Properties

Compound Nameacetylene;N-(azidomethyl)acetamide
PubChem CID162124086
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Nameacetylene;N-(azidomethyl)acetamide
SMILESC#C.CC(=O)NCN=[N+]=[N-]
InChIInChI=1S/C3H6N4O.C2H2/c1-3(8)5-2-6-7-4;1-2/h2H2,1H3,(H,5,8);1-2H
InChIKeyZHUJKRZIGBJNFD-UHFFFAOYSA-N
XLogP0.64
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetylene;N-(azidomethyl)acetamide?
The IUPAC name of acetylene;N-(azidomethyl)acetamide (CID 162124086) is acetylene;N-(azidomethyl)acetamide.
What is the SMILES notation for acetylene;N-(azidomethyl)acetamide?
The canonical SMILES for acetylene;N-(azidomethyl)acetamide is C#C.CC(=O)NCN=[N+]=[N-].
What is the InChIKey of acetylene;N-(azidomethyl)acetamide?
The InChIKey is ZHUJKRZIGBJNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O.C2H2/c1-3(8)5-2-6-7-4;1-2/h2H2,1H3,(H,5,8);1-2H.
What are the key properties of acetylene;N-(azidomethyl)acetamide?
acetylene;N-(azidomethyl)acetamide has a molecular weight of 140.15 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;N-(azidomethyl)acetamide is sourced from PubChem (CID 162124086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).