6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one

C10H14N4O2 — CID 20590202

IUPAC6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one
SMILESCNC1COCCN(c2cnccn2)C1=O
InChIInChI=1S/C10H14N4O2/c1-11-8-7-16-5-4-14(10(8)15)9-6-12-2-3-13-9/h2-3,6,8,11H,4-5,7H2,1H3
InChIKeyIEJMPUHZRRQLKD-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.57
Rot. Bonds2

About 6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one

6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one (PubChem CID 20590202) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one.

Molecular Properties

Compound Name6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one
PubChem CID20590202
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one
SMILESCNC1COCCN(c2cnccn2)C1=O
InChIInChI=1S/C10H14N4O2/c1-11-8-7-16-5-4-14(10(8)15)9-6-12-2-3-13-9/h2-3,6,8,11H,4-5,7H2,1H3
InChIKeyIEJMPUHZRRQLKD-UHFFFAOYSA-N
XLogP-0.57
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one with MolForge

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

Launch Full Analysis

Related Compounds

6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one
CID 20590175
6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one
CID 20590208
4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one
CID 20589875
8-(methylamino)-6-pyrazin-2-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
CID 23554592
6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one
CID 20590182
6-(methylamino)-4-(pyrimidin-4-ylmethyl)-1,4-oxazepan-5-one
CID 20590207
ethane;4-pyrazin-2-ylmorpholine
CID 143018931
N-[(4-pyrazin-2-ylmorpholin-3-yl)methyl]ethanamine
CID 83105613
4-cyclobut-2-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one
CID 22984954
2-pyrazin-2-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 106468632
6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one
CID 20590162
3-(4-methylpyrimidin-2-yl)-4-pyrazin-2-ylmorpholine
CID 110270701

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one?
The IUPAC name of 6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one (CID 20590202) is 6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one.
What is the SMILES notation for 6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one?
The canonical SMILES for 6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one is CNC1COCCN(c2cnccn2)C1=O.
What is the InChIKey of 6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one?
The InChIKey is IEJMPUHZRRQLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-11-8-7-16-5-4-14(10(8)15)9-6-12-2-3-13-9/h2-3,6,8,11H,4-5,7H2,1H3.
What are the key properties of 6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one?
6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one has a molecular weight of 222.25 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one is sourced from PubChem (CID 20590202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).