N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide;yttrium

C11H17N3O5PY- — CID 59649390

IUPACN-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide;yttrium
SMILES[CH2-]C(=O)Nc1cnc(C(O)P(=O)(OCC)OCC)cn1.[Y]
InChIInChI=1S/C11H17N3O5P.Y/c1-4-18-20(17,19-5-2)11(16)9-6-13-10(7-12-9)14-8(3)15;/h6-7,11,16H,3-5H2,1-2H3,(H,13,14,15);/q-1;
InChIKeyMLWBZVFIOGJRAB-UHFFFAOYSA-N
MW391.15 g/mol
LogP1.50
Rot. Bonds7

About N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide;yttrium

N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide;yttrium (PubChem CID 59649390) has the molecular formula C11H17N3O5PY- and a molecular weight of 391.15 g/mol. Its IUPAC name is N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide;yttrium.

Molecular Properties

Compound NameN-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide;yttrium
PubChem CID59649390
Molecular FormulaC11H17N3O5PY-
Molecular Weight391.15 g/mol
Exact Mass391.00
IUPAC NameN-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide;yttrium
SMILES[CH2-]C(=O)Nc1cnc(C(O)P(=O)(OCC)OCC)cn1.[Y]
InChIInChI=1S/C11H17N3O5P.Y/c1-4-18-20(17,19-5-2)11(16)9-6-13-10(7-12-9)14-8(3)15;/h6-7,11,16H,3-5H2,1-2H3,(H,13,14,15);/q-1;
InChIKeyMLWBZVFIOGJRAB-UHFFFAOYSA-N
XLogP1.50
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.15
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide;yttrium?
The IUPAC name of N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide;yttrium (CID 59649390) is N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide;yttrium.
What is the SMILES notation for N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide;yttrium?
The canonical SMILES for N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide;yttrium is [CH2-]C(=O)Nc1cnc(C(O)P(=O)(OCC)OCC)cn1.[Y].
What is the InChIKey of N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide;yttrium?
The InChIKey is MLWBZVFIOGJRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5P.Y/c1-4-18-20(17,19-5-2)11(16)9-6-13-10(7-12-9)14-8(3)15;/h6-7,11,16H,3-5H2,1-2H3,(H,13,14,15);/q-1;.
What are the key properties of N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide;yttrium?
N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide;yttrium has a molecular weight of 391.15 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide;yttrium is sourced from PubChem (CID 59649390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).