2-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylguanidine

C5H6N8 — CID 135398161

IUPAC2-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylguanidine
SMILESNC(N)=Nc1nnc2nccn2n1
InChIInChI=1S/C5H6N8/c6-3(7)9-4-10-11-5-8-1-2-13(5)12-4/h1-2H,(H4,6,7,9,12)
InChIKeyPECPZLVXBPEOBV-UHFFFAOYSA-N
MW178.16 g/mol
LogP-1.58
Rot. Bonds1

About 2-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylguanidine

2-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylguanidine (PubChem CID 135398161) has the molecular formula C5H6N8 and a molecular weight of 178.16 g/mol. Its IUPAC name is 2-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylguanidine.

Molecular Properties

Compound Name2-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylguanidine
PubChem CID135398161
Molecular FormulaC5H6N8
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name2-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylguanidine
SMILESNC(N)=Nc1nnc2nccn2n1
InChIInChI=1S/C5H6N8/c6-3(7)9-4-10-11-5-8-1-2-13(5)12-4/h1-2H,(H4,6,7,9,12)
InChIKeyPECPZLVXBPEOBV-UHFFFAOYSA-N
XLogP-1.58
TPSA120.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylguanidine?
The IUPAC name of 2-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylguanidine (CID 135398161) is 2-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylguanidine.
What is the SMILES notation for 2-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylguanidine?
The canonical SMILES for 2-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylguanidine is NC(N)=Nc1nnc2nccn2n1.
What is the InChIKey of 2-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylguanidine?
The InChIKey is PECPZLVXBPEOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N8/c6-3(7)9-4-10-11-5-8-1-2-13(5)12-4/h1-2H,(H4,6,7,9,12).
What are the key properties of 2-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylguanidine?
2-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylguanidine has a molecular weight of 178.16 g/mol, XLogP of -1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylguanidine is sourced from PubChem (CID 135398161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).