N'-hydroxy-6-(1,2,4-triazol-1-yl)pyrazine-2-carboximidamide

C7H7N7O — CID 135508900

IUPACN'-hydroxy-6-(1,2,4-triazol-1-yl)pyrazine-2-carboximidamide
SMILESN/C(=N/O)c1cncc(-n2cncn2)n1
InChIInChI=1S/C7H7N7O/c8-7(13-15)5-1-9-2-6(12-5)14-4-10-3-11-14/h1-4,15H,(H2,8,13)
InChIKeyUYDAAUNOATXLRC-UHFFFAOYSA-N
MW205.18 g/mol
LogP-0.85
Rot. Bonds2

About N'-hydroxy-6-(1,2,4-triazol-1-yl)pyrazine-2-carboximidamide

N'-hydroxy-6-(1,2,4-triazol-1-yl)pyrazine-2-carboximidamide (PubChem CID 135508900) has the molecular formula C7H7N7O and a molecular weight of 205.18 g/mol. Its IUPAC name is N'-hydroxy-6-(1,2,4-triazol-1-yl)pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(1,2,4-triazol-1-yl)pyrazine-2-carboximidamide
PubChem CID135508900
Molecular FormulaC7H7N7O
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC NameN'-hydroxy-6-(1,2,4-triazol-1-yl)pyrazine-2-carboximidamide
SMILESN/C(=N/O)c1cncc(-n2cncn2)n1
InChIInChI=1S/C7H7N7O/c8-7(13-15)5-1-9-2-6(12-5)14-4-10-3-11-14/h1-4,15H,(H2,8,13)
InChIKeyUYDAAUNOATXLRC-UHFFFAOYSA-N
XLogP-0.85
TPSA115.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 5-0.85
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(1,2,4-Triazol-1-yl)pyrazine-2-carbonitrile
CID 479372
6-(1,2,4-Triazol-1-yl)pyrazine-2-carbothioamide
CID 3000616
2-methyl-3-(1H-1,2,4-triazol-1-yl)pyrazine
CID 83066557
1,2,5-Oxadiazol-3-amine, 4-(1,2,4-triazin-3-yl)-
CID 98012276
2-(1-methyl-1H-1,2,4-triazol-3-yl)pyrazine
CID 11252170
2-(2-Methyl-1,2,4-triazol-3-yl)pyrazine
CID 12145992
N-methyl-1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methanamine
CID 66449763
N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66449959
2-Methyl-5-(1,2,4-triazol-1-yl)pyrazine
CID 68236333
5-Pyrazin-2-yl-1,2,4-triazole-1-carboximidamide
CID 68690051
2-Methyl-6-(1,2,4-triazol-1-yl)pyrazine
CID 89065756
2-(2-Ethyl-1,2,4-triazol-3-yl)pyrazine
CID 91493255

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-(1,2,4-triazol-1-yl)pyrazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-6-(1,2,4-triazol-1-yl)pyrazine-2-carboximidamide (CID 135508900) is N'-hydroxy-6-(1,2,4-triazol-1-yl)pyrazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-(1,2,4-triazol-1-yl)pyrazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-6-(1,2,4-triazol-1-yl)pyrazine-2-carboximidamide is N/C(=N/O)c1cncc(-n2cncn2)n1.
What is the InChIKey of N'-hydroxy-6-(1,2,4-triazol-1-yl)pyrazine-2-carboximidamide?
The InChIKey is UYDAAUNOATXLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N7O/c8-7(13-15)5-1-9-2-6(12-5)14-4-10-3-11-14/h1-4,15H,(H2,8,13).
What are the key properties of N'-hydroxy-6-(1,2,4-triazol-1-yl)pyrazine-2-carboximidamide?
N'-hydroxy-6-(1,2,4-triazol-1-yl)pyrazine-2-carboximidamide has a molecular weight of 205.18 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(1,2,4-triazol-1-yl)pyrazine-2-carboximidamide is sourced from PubChem (CID 135508900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).