2-(6-imidazol-1-yl-1,2,4,5-tetrazin-3-yl)guanidine

C6H7N9 — CID 170452740

IUPAC2-(6-imidazol-1-yl-1,2,4,5-tetrazin-3-yl)guanidine
SMILESNC(N)=Nc1nnc(-n2ccnc2)nn1
InChIInChI=1S/C6H7N9/c7-4(8)10-5-11-13-6(14-12-5)15-2-1-9-3-15/h1-3H,(H4,7,8,10,11,12)
InChIKeyFBTJQLZOBAZEBM-UHFFFAOYSA-N
MW205.19 g/mol
LogP-1.64
Rot. Bonds2

About 2-(6-imidazol-1-yl-1,2,4,5-tetrazin-3-yl)guanidine

2-(6-imidazol-1-yl-1,2,4,5-tetrazin-3-yl)guanidine (PubChem CID 170452740) has the molecular formula C6H7N9 and a molecular weight of 205.19 g/mol. Its IUPAC name is 2-(6-imidazol-1-yl-1,2,4,5-tetrazin-3-yl)guanidine.

Molecular Properties

Compound Name2-(6-imidazol-1-yl-1,2,4,5-tetrazin-3-yl)guanidine
PubChem CID170452740
Molecular FormulaC6H7N9
Molecular Weight205.19 g/mol
Exact Mass205.08
IUPAC Name2-(6-imidazol-1-yl-1,2,4,5-tetrazin-3-yl)guanidine
SMILESNC(N)=Nc1nnc(-n2ccnc2)nn1
InChIInChI=1S/C6H7N9/c7-4(8)10-5-11-13-6(14-12-5)15-2-1-9-3-15/h1-3H,(H4,7,8,10,11,12)
InChIKeyFBTJQLZOBAZEBM-UHFFFAOYSA-N
XLogP-1.64
TPSA133.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(1H-imidazol-1-ylmethyl)-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 676139
3-Guanidinoimidazo[1,2-b][1,2,4,5]tetrazine
CID 135398161
Imidazo[1,2-a][1,3,5]triazine
CID 19734140
Imidazo[1,2-b][1,2,4]triazine
CID 12262392
N-Amino-1H-imidazole-1-carboximidamide
CID 121553019
n-(2h-1,2,3,4-Tetrazol-5-yl)-1,2,4-triazin-3-amine
CID 11159501
N-Cyano-1H-imidazole-1-carboximidamide
CID 14985085
Pyrazine, 2-(1H-imidazol-1-yl)-
CID 53438254
2-(1,2,4-Triazol-1-yl)pyrazine
CID 57746070
3,6-Bis(imidazol-1-yl)-1,2,4,5-tetrazine
CID 86101895
3-Methyl-(triazen-1-yl)imidazole
CID 129775163
1H-Imidazole-1-carboximidamide
CID 19034099

Frequently Asked Questions

What is the IUPAC name of 2-(6-imidazol-1-yl-1,2,4,5-tetrazin-3-yl)guanidine?
The IUPAC name of 2-(6-imidazol-1-yl-1,2,4,5-tetrazin-3-yl)guanidine (CID 170452740) is 2-(6-imidazol-1-yl-1,2,4,5-tetrazin-3-yl)guanidine.
What is the SMILES notation for 2-(6-imidazol-1-yl-1,2,4,5-tetrazin-3-yl)guanidine?
The canonical SMILES for 2-(6-imidazol-1-yl-1,2,4,5-tetrazin-3-yl)guanidine is NC(N)=Nc1nnc(-n2ccnc2)nn1.
What is the InChIKey of 2-(6-imidazol-1-yl-1,2,4,5-tetrazin-3-yl)guanidine?
The InChIKey is FBTJQLZOBAZEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N9/c7-4(8)10-5-11-13-6(14-12-5)15-2-1-9-3-15/h1-3H,(H4,7,8,10,11,12).
What are the key properties of 2-(6-imidazol-1-yl-1,2,4,5-tetrazin-3-yl)guanidine?
2-(6-imidazol-1-yl-1,2,4,5-tetrazin-3-yl)guanidine has a molecular weight of 205.19 g/mol, XLogP of -1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-imidazol-1-yl-1,2,4,5-tetrazin-3-yl)guanidine is sourced from PubChem (CID 170452740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).