2-azido-1-methylguanidine

C2H6N6 — CID 173398023

IUPAC2-azido-1-methylguanidine
SMILESCNC(N)=NN=[N+]=[N-]
InChIInChI=1S/C2H6N6/c1-5-2(3)6-8-7-4/h1H3,(H3,3,5,6)
InChIKeyZVJBMPZWKQJGCJ-UHFFFAOYSA-N
MW114.11 g/mol
LogP-0.25
Rot. Bonds1

About 2-azido-1-methylguanidine

2-azido-1-methylguanidine (PubChem CID 173398023) has the molecular formula C2H6N6 and a molecular weight of 114.11 g/mol. Its IUPAC name is 2-azido-1-methylguanidine.

Molecular Properties

Compound Name2-azido-1-methylguanidine
PubChem CID173398023
Molecular FormulaC2H6N6
Molecular Weight114.11 g/mol
Exact Mass114.07
IUPAC Name2-azido-1-methylguanidine
SMILESCNC(N)=NN=[N+]=[N-]
InChIInChI=1S/C2H6N6/c1-5-2(3)6-8-7-4/h1H3,(H3,3,5,6)
InChIKeyZVJBMPZWKQJGCJ-UHFFFAOYSA-N
XLogP-0.25
TPSA99.17 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.11
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-1-methylguanidine?
The IUPAC name of 2-azido-1-methylguanidine (CID 173398023) is 2-azido-1-methylguanidine.
What is the SMILES notation for 2-azido-1-methylguanidine?
The canonical SMILES for 2-azido-1-methylguanidine is CNC(N)=NN=[N+]=[N-].
What is the InChIKey of 2-azido-1-methylguanidine?
The InChIKey is ZVJBMPZWKQJGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N6/c1-5-2(3)6-8-7-4/h1H3,(H3,3,5,6).
What are the key properties of 2-azido-1-methylguanidine?
2-azido-1-methylguanidine has a molecular weight of 114.11 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-methylguanidine is sourced from PubChem (CID 173398023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).