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

C11H13N7O — CID 136990679

IUPAC5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(N2CCn3cnnc3C2)cn1
InChIInChI=1S/C11H13N7O/c12-11(16-19)9-2-1-8(5-13-9)17-3-4-18-7-14-15-10(18)6-17/h1-2,5,7,19H,3-4,6H2,(H2,12,16)
InChIKeyYCAPILLYQMYZJB-UHFFFAOYSA-N
MW259.27 g/mol
LogP-0.21
Rot. Bonds2

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

5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136990679) has the molecular formula C11H13N7O and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136990679
Molecular FormulaC11H13N7O
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(N2CCn3cnnc3C2)cn1
InChIInChI=1S/C11H13N7O/c12-11(16-19)9-2-1-8(5-13-9)17-3-4-18-7-14-15-10(18)6-17/h1-2,5,7,19H,3-4,6H2,(H2,12,16)
InChIKeyYCAPILLYQMYZJB-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 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-2-carboximidamide (CID 136990679) is 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-2-carboximidamide is N/C(=N/O)c1ccc(N2CCn3cnnc3C2)cn1.
What is the InChIKey of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is YCAPILLYQMYZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O/c12-11(16-19)9-2-1-8(5-13-9)17-3-4-18-7-14-15-10(18)6-17/h1-2,5,7,19H,3-4,6H2,(H2,12,16).
What are the key properties of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-2-carboximidamide?
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-2-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 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136990679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).