2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-3-carboximidamide

C11H13N7O — CID 77047411

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-3-carboximidamide
SMILESNC(=NO)c1cccnc1N1CCn2cnnc2C1
InChIInChI=1S/C11H13N7O/c12-10(16-19)8-2-1-3-13-11(8)17-4-5-18-7-14-15-9(18)6-17/h1-3,7,19H,4-6H2,(H2,12,16)
InChIKeyROHKMUVQMUTATH-UHFFFAOYSA-N
MW259.27 g/mol
LogP-0.21
Rot. Bonds2

About 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-3-carboximidamide

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 77047411) has the molecular formula C11H13N7O and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-3-carboximidamide
PubChem CID77047411
Molecular FormulaC11H13N7O
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-3-carboximidamide
SMILESNC(=NO)c1cccnc1N1CCn2cnnc2C1
InChIInChI=1S/C11H13N7O/c12-10(16-19)8-2-1-3-13-11(8)17-4-5-18-7-14-15-9(18)6-17/h1-3,7,19H,4-6H2,(H2,12,16)
InChIKeyROHKMUVQMUTATH-UHFFFAOYSA-N
XLogP-0.21
TPSA105.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 5-0.21
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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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-3-carboximidamide (CID 77047411) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-3-carboximidamide is NC(=NO)c1cccnc1N1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is ROHKMUVQMUTATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O/c12-10(16-19)8-2-1-3-13-11(8)17-4-5-18-7-14-15-9(18)6-17/h1-3,7,19H,4-6H2,(H2,12,16).
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-3-carboximidamide?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 259.27 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 77047411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).