azidomethylcyanamide

C2H3N5 — CID 150436857

IUPACazidomethylcyanamide
SMILESN#CNCN=[N+]=[N-]
InChIInChI=1S/C2H3N5/c3-1-5-2-6-7-4/h5H,2H2
InChIKeyHKYHCQQONQWFGW-UHFFFAOYSA-N
MW97.08 g/mol
LogP0.32
Rot. Bonds2

About azidomethylcyanamide

azidomethylcyanamide (PubChem CID 150436857) has the molecular formula C2H3N5 and a molecular weight of 97.08 g/mol. Its IUPAC name is azidomethylcyanamide.

Molecular Properties

Compound Nameazidomethylcyanamide
PubChem CID150436857
Molecular FormulaC2H3N5
Molecular Weight97.08 g/mol
Exact Mass97.04
IUPAC Nameazidomethylcyanamide
SMILESN#CNCN=[N+]=[N-]
InChIInChI=1S/C2H3N5/c3-1-5-2-6-7-4/h5H,2H2
InChIKeyHKYHCQQONQWFGW-UHFFFAOYSA-N
XLogP0.32
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.08
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azidomethylcyanamide?
The IUPAC name of azidomethylcyanamide (CID 150436857) is azidomethylcyanamide.
What is the SMILES notation for azidomethylcyanamide?
The canonical SMILES for azidomethylcyanamide is N#CNCN=[N+]=[N-].
What is the InChIKey of azidomethylcyanamide?
The InChIKey is HKYHCQQONQWFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N5/c3-1-5-2-6-7-4/h5H,2H2.
What are the key properties of azidomethylcyanamide?
azidomethylcyanamide has a molecular weight of 97.08 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azidomethylcyanamide is sourced from PubChem (CID 150436857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).