3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazin-2-one

C9H15N3O2 — CID 114569343

IUPAC3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazin-2-one
SMILESCOCC(C)(C)Nc1ncc[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-9(2,6-14-3)12-7-8(13)11-5-4-10-7/h4-5H,6H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyUFHLNUJSJIOWQU-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.61
Rot. Bonds4

About 3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazin-2-one

3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazin-2-one (PubChem CID 114569343) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazin-2-one
PubChem CID114569343
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazin-2-one
SMILESCOCC(C)(C)Nc1ncc[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-9(2,6-14-3)12-7-8(13)11-5-4-10-7/h4-5H,6H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyUFHLNUJSJIOWQU-UHFFFAOYSA-N
XLogP0.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazin-2-one (CID 114569343) is 3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazin-2-one is COCC(C)(C)Nc1ncc[nH]c1=O.
What is the InChIKey of 3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazin-2-one?
The InChIKey is UFHLNUJSJIOWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,6-14-3)12-7-8(13)11-5-4-10-7/h4-5H,6H2,1-3H3,(H,10,12)(H,11,13).
What are the key properties of 3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazin-2-one?
3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazin-2-one has a molecular weight of 197.24 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 114569343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).