N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]pyrazine-2-carboximidamide

C10H17N5O3 — CID 137000488

IUPACN'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]pyrazine-2-carboximidamide
SMILESCOCCN(CCO)c1nccnc1C(N)=NO
InChIInChI=1S/C10H17N5O3/c1-18-7-5-15(4-6-16)10-8(9(11)14-17)12-2-3-13-10/h2-3,16-17H,4-7H2,1H3,(H2,11,14)
InChIKeyQGOMQJFVWHXRJH-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.98
Rot. Bonds7

About N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]pyrazine-2-carboximidamide

N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]pyrazine-2-carboximidamide (PubChem CID 137000488) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]pyrazine-2-carboximidamide
PubChem CID137000488
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC NameN'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]pyrazine-2-carboximidamide
SMILESCOCCN(CCO)c1nccnc1C(N)=NO
InChIInChI=1S/C10H17N5O3/c1-18-7-5-15(4-6-16)10-8(9(11)14-17)12-2-3-13-10/h2-3,16-17H,4-7H2,1H3,(H2,11,14)
InChIKeyQGOMQJFVWHXRJH-UHFFFAOYSA-N
XLogP-0.98
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
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 N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]pyrazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]pyrazine-2-carboximidamide (CID 137000488) is N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]pyrazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]pyrazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]pyrazine-2-carboximidamide is COCCN(CCO)c1nccnc1C(N)=NO.
What is the InChIKey of N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]pyrazine-2-carboximidamide?
The InChIKey is QGOMQJFVWHXRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-18-7-5-15(4-6-16)10-8(9(11)14-17)12-2-3-13-10/h2-3,16-17H,4-7H2,1H3,(H2,11,14).
What are the key properties of N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]pyrazine-2-carboximidamide?
N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]pyrazine-2-carboximidamide has a molecular weight of 255.28 g/mol, XLogP of -0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]pyrazine-2-carboximidamide is sourced from PubChem (CID 137000488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).