N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide

C15H20N4O3 — CID 146078367

IUPACN-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESCOCCNC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C15H20N4O3/c1-22-9-6-16-13(20)10-18-7-8-19-14(15(18)21)11-4-2-3-5-12(11)17-19/h7-8H,2-6,9-10H2,1H3,(H,16,20)
InChIKeyKUDDEHMIPBBWGE-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.14
Rot. Bonds5

About N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide

N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (PubChem CID 146078367) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
PubChem CID146078367
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESCOCCNC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C15H20N4O3/c1-22-9-6-16-13(20)10-18-7-8-19-14(15(18)21)11-4-2-3-5-12(11)17-19/h7-8H,2-6,9-10H2,1H3,(H,16,20)
InChIKeyKUDDEHMIPBBWGE-UHFFFAOYSA-N
XLogP0.14
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (CID 146078367) is N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is COCCNC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3.
What is the InChIKey of N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The InChIKey is KUDDEHMIPBBWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-22-9-6-16-13(20)10-18-7-8-19-14(15(18)21)11-4-2-3-5-12(11)17-19/h7-8H,2-6,9-10H2,1H3,(H,16,20).
What are the key properties of N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide has a molecular weight of 304.35 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is sourced from PubChem (CID 146078367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).