3-(methylamino)-1-pyrazin-2-ylazepan-2-one

C11H16N4O — CID 20589823

IUPAC3-(methylamino)-1-pyrazin-2-ylazepan-2-one
SMILESCNC1CCCCN(c2cnccn2)C1=O
InChIInChI=1S/C11H16N4O/c1-12-9-4-2-3-7-15(11(9)16)10-8-13-5-6-14-10/h5-6,8-9,12H,2-4,7H2,1H3
InChIKeyMFSAXNBPAMJHLC-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.58
Rot. Bonds2

About 3-(methylamino)-1-pyrazin-2-ylazepan-2-one

3-(methylamino)-1-pyrazin-2-ylazepan-2-one (PubChem CID 20589823) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-(methylamino)-1-pyrazin-2-ylazepan-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-pyrazin-2-ylazepan-2-one
PubChem CID20589823
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-(methylamino)-1-pyrazin-2-ylazepan-2-one
SMILESCNC1CCCCN(c2cnccn2)C1=O
InChIInChI=1S/C11H16N4O/c1-12-9-4-2-3-7-15(11(9)16)10-8-13-5-6-14-10/h5-6,8-9,12H,2-4,7H2,1H3
InChIKeyMFSAXNBPAMJHLC-UHFFFAOYSA-N
XLogP0.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-pyrazin-2-ylazepan-2-one?
The IUPAC name of 3-(methylamino)-1-pyrazin-2-ylazepan-2-one (CID 20589823) is 3-(methylamino)-1-pyrazin-2-ylazepan-2-one.
What is the SMILES notation for 3-(methylamino)-1-pyrazin-2-ylazepan-2-one?
The canonical SMILES for 3-(methylamino)-1-pyrazin-2-ylazepan-2-one is CNC1CCCCN(c2cnccn2)C1=O.
What is the InChIKey of 3-(methylamino)-1-pyrazin-2-ylazepan-2-one?
The InChIKey is MFSAXNBPAMJHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-12-9-4-2-3-7-15(11(9)16)10-8-13-5-6-14-10/h5-6,8-9,12H,2-4,7H2,1H3.
What are the key properties of 3-(methylamino)-1-pyrazin-2-ylazepan-2-one?
3-(methylamino)-1-pyrazin-2-ylazepan-2-one has a molecular weight of 220.28 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-pyrazin-2-ylazepan-2-one is sourced from PubChem (CID 20589823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).