5-pyrazin-2-yl-1,2,4-triazole-1-carboximidamide

C7H7N7 — CID 68690051

IUPAC5-pyrazin-2-yl-1,2,4-triazole-1-carboximidamide
SMILES[H]/N=C(\N)n1ncnc1-c1cnccn1
InChIInChI=1S/C7H7N7/c8-7(9)14-6(12-4-13-14)5-3-10-1-2-11-5/h1-4H,(H3,8,9)
InChIKeyYNLFKHLUZGSHMB-UHFFFAOYSA-N
MW189.18 g/mol
LogP-0.52
Rot. Bonds1

About 5-pyrazin-2-yl-1,2,4-triazole-1-carboximidamide

5-pyrazin-2-yl-1,2,4-triazole-1-carboximidamide (PubChem CID 68690051) has the molecular formula C7H7N7 and a molecular weight of 189.18 g/mol. Its IUPAC name is 5-pyrazin-2-yl-1,2,4-triazole-1-carboximidamide.

Molecular Properties

Compound Name5-pyrazin-2-yl-1,2,4-triazole-1-carboximidamide
PubChem CID68690051
Molecular FormulaC7H7N7
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name5-pyrazin-2-yl-1,2,4-triazole-1-carboximidamide
SMILES[H]/N=C(\N)n1ncnc1-c1cnccn1
InChIInChI=1S/C7H7N7/c8-7(9)14-6(12-4-13-14)5-3-10-1-2-11-5/h1-4H,(H3,8,9)
InChIKeyYNLFKHLUZGSHMB-UHFFFAOYSA-N
XLogP-0.52
TPSA106.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 5-0.52
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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Related Compounds

2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine
CID 57170188
s-Triazine, 2,4-diamino-6-(2-pyrazinyl)-
CID 146422
1-(pyrimidin-5-yl)-1H-pyrazol-3-amine
CID 65690504
6-(1,2,4-Triazol-1-yl)pyrazine-2-carbothioamide
CID 3000616
N-Hydroxy-6-[1,2,4]triazol-1-yl-pyrazine-2-carboxamidine
CID 135508900
2-(5-pyrazin-2-yl-4H-1,2,4-triazol-3-yl)pyrazine
CID 13524787
4-Ethyl-1-methyl-5-pyrazin-2-yl-1,2,4-triazol-4-ium-3-thiolate
CID 12869139
3,5-di(2-pyrazinyl)-4H-1,2,4-triazol-4-ylamine
CID 3838266
2-(1H-1,2,4-Triazol-5-yl)pyrazine
CID 12145987
3-(2-Pyrazinyl)-1,2,4-triazine
CID 67443903
2-Chloro-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine
CID 167430037
2-Chloro-3-[1-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine
CID 175555887

Frequently Asked Questions

What is the IUPAC name of 5-pyrazin-2-yl-1,2,4-triazole-1-carboximidamide?
The IUPAC name of 5-pyrazin-2-yl-1,2,4-triazole-1-carboximidamide (CID 68690051) is 5-pyrazin-2-yl-1,2,4-triazole-1-carboximidamide.
What is the SMILES notation for 5-pyrazin-2-yl-1,2,4-triazole-1-carboximidamide?
The canonical SMILES for 5-pyrazin-2-yl-1,2,4-triazole-1-carboximidamide is [H]/N=C(\N)n1ncnc1-c1cnccn1.
What is the InChIKey of 5-pyrazin-2-yl-1,2,4-triazole-1-carboximidamide?
The InChIKey is YNLFKHLUZGSHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N7/c8-7(9)14-6(12-4-13-14)5-3-10-1-2-11-5/h1-4H,(H3,8,9).
What are the key properties of 5-pyrazin-2-yl-1,2,4-triazole-1-carboximidamide?
5-pyrazin-2-yl-1,2,4-triazole-1-carboximidamide has a molecular weight of 189.18 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazin-2-yl-1,2,4-triazole-1-carboximidamide is sourced from PubChem (CID 68690051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).