2-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide

C11H19N7O3 — CID 77011987

IUPAC2-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESCOc1nc(OC)nc(N2CCN(CC(N)=NO)CC2)n1
InChIInChI=1S/C11H19N7O3/c1-20-10-13-9(14-11(15-10)21-2)18-5-3-17(4-6-18)7-8(12)16-19/h19H,3-7H2,1-2H3,(H2,12,16)
InChIKeyNARGLLODIXJWGZ-UHFFFAOYSA-N
MW297.32 g/mol
LogP-1.24
Rot. Bonds5

About 2-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide

2-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 77011987) has the molecular formula C11H19N7O3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
PubChem CID77011987
Molecular FormulaC11H19N7O3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name2-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESCOc1nc(OC)nc(N2CCN(CC(N)=NO)CC2)n1
InChIInChI=1S/C11H19N7O3/c1-20-10-13-9(14-11(15-10)21-2)18-5-3-17(4-6-18)7-8(12)16-19/h19H,3-7H2,1-2H3,(H2,12,16)
InChIKeyNARGLLODIXJWGZ-UHFFFAOYSA-N
XLogP-1.24
TPSA122.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide (CID 77011987) is 2-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide is COc1nc(OC)nc(N2CCN(CC(N)=NO)CC2)n1.
What is the InChIKey of 2-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is NARGLLODIXJWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7O3/c1-20-10-13-9(14-11(15-10)21-2)18-5-3-17(4-6-18)7-8(12)16-19/h19H,3-7H2,1-2H3,(H2,12,16).
What are the key properties of 2-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide?
2-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 297.32 g/mol, XLogP of -1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77011987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).