2-(2-azidoethyl)guanidine;2-(2-chloroethyl)guanidine

C6H16ClN9 — CID 160950250

IUPAC2-(2-azidoethyl)guanidine;2-(2-chloroethyl)guanidine
SMILESNC(N)=NCCCl.[N-]=[N+]=NCCN=C(N)N
InChIInChI=1S/C3H8ClN3.C3H8N6/c4-1-2-7-3(5)6;4-3(5)7-1-2-8-9-6/h1-2H2,(H4,5,6,7);1-2H2,(H4,4,5,7)
InChIKeySVQWAUWLAZOACR-UHFFFAOYSA-N
MW249.71 g/mol
LogP-0.93
Rot. Bonds5

About 2-(2-azidoethyl)guanidine;2-(2-chloroethyl)guanidine

2-(2-azidoethyl)guanidine;2-(2-chloroethyl)guanidine (PubChem CID 160950250) has the molecular formula C6H16ClN9 and a molecular weight of 249.71 g/mol. Its IUPAC name is 2-(2-azidoethyl)guanidine;2-(2-chloroethyl)guanidine.

Molecular Properties

Compound Name2-(2-azidoethyl)guanidine;2-(2-chloroethyl)guanidine
PubChem CID160950250
Molecular FormulaC6H16ClN9
Molecular Weight249.71 g/mol
Exact Mass249.12
IUPAC Name2-(2-azidoethyl)guanidine;2-(2-chloroethyl)guanidine
SMILESNC(N)=NCCCl.[N-]=[N+]=NCCN=C(N)N
InChIInChI=1S/C3H8ClN3.C3H8N6/c4-1-2-7-3(5)6;4-3(5)7-1-2-8-9-6/h1-2H2,(H4,5,6,7);1-2H2,(H4,4,5,7)
InChIKeySVQWAUWLAZOACR-UHFFFAOYSA-N
XLogP-0.93
TPSA177.56 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethyl)guanidine;2-(2-chloroethyl)guanidine?
The IUPAC name of 2-(2-azidoethyl)guanidine;2-(2-chloroethyl)guanidine (CID 160950250) is 2-(2-azidoethyl)guanidine;2-(2-chloroethyl)guanidine.
What is the SMILES notation for 2-(2-azidoethyl)guanidine;2-(2-chloroethyl)guanidine?
The canonical SMILES for 2-(2-azidoethyl)guanidine;2-(2-chloroethyl)guanidine is NC(N)=NCCCl.[N-]=[N+]=NCCN=C(N)N.
What is the InChIKey of 2-(2-azidoethyl)guanidine;2-(2-chloroethyl)guanidine?
The InChIKey is SVQWAUWLAZOACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClN3.C3H8N6/c4-1-2-7-3(5)6;4-3(5)7-1-2-8-9-6/h1-2H2,(H4,5,6,7);1-2H2,(H4,4,5,7).
What are the key properties of 2-(2-azidoethyl)guanidine;2-(2-chloroethyl)guanidine?
2-(2-azidoethyl)guanidine;2-(2-chloroethyl)guanidine has a molecular weight of 249.71 g/mol, XLogP of -0.93, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethyl)guanidine;2-(2-chloroethyl)guanidine is sourced from PubChem (CID 160950250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).